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Compound 96
  CheckMol                        TMF02:r0:m0
MF=C23H32N6O4S MW=488.60
 34 37  0  5  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4325    0.4697   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272   -0.9863   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9863   -1.1037   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4462    1.4325   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.5166   -2.5127   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4423   -0.7750   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5636    2.5597   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.9022    1.7613   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.5029   -3.6164   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4286   -1.8787   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1174    3.9922   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.3483    3.1937   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.9589   -3.2877   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    5.1194   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.3386    4.3209   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9452   -4.3914   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6067    4.8141   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.6810    6.5519   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.7847    5.7534   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4012   -4.0626   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6164    5.9413   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.6908    7.6791   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.2407    6.0822   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0959    5.6360   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1703    7.3738   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.5499    9.1820   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6869    7.5147   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9335    8.6889   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9354    9.8043   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.2583    9.9452   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4364    8.8532   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333    9.2055   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    9.9687   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  1  0  0
  4  7  1  0  1  0  0
  5  8 02  0  1  0  0
  5  9 01  0  1  0  0
  6 10  1  0  1  0  0
  7 11  1  0  1  0  0
  8 12 01  0  1  0  0
  9 13 02  0  1  0  0
 10 14  1  0  1  0  0
 12 15  1  0  0  0  0
 12 16 02  0  1  0  0
 14 17  1  0  0  0  0
 15 18 02  0  1  0  0
 15 19 01  0  1  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22 01  0  1  0  0
 19 23 01  0  1  0  0
 20 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26 01  0  1  0  0
 23 27 01  0  1  0  0
 24 28  1  0  0  0  0
 26 29 02  0  1  0  0
 27 30 02  0  1  0  0
 27 31  1  0  0  0  0
 29 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 11 14  1  0  1  0  0
 13 16 01  0  1  0  0
 23 26 01  0  2  0  0
 29 30 01  0  1  0  0
M  END

Vardenafil

₹ 0.00 0.00

Chemical Name - Vardenafil
Mol Weight - 488.611
Smiles - CCCc1nc(C)c2n1NC(c(cc(cc1)S(N3CCN(CC)CC3)(=O)=O)c1OCC)=NC2=O

Property Name	Property Value
Mol Name	Vardenafil
Molweight	488.611
Monoisotopic Mass	488.220574
Clogp	2.0144
Clogs	-4.217
H Acceptors	10
H Donors	1
Total Surface Area	364.46
Relative Psa	0.27309
Polar Surface Area	117.51
Druglikeness	5.4018
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.47815
Molecular Complexity	0.94264
Fragments	1
Non H Atoms	34
Non Ch Atoms	11
Electronegative Atoms	11
Rotatable Bonds	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	15
Symmetric Atoms	3
Amides	1
Amines	1
Alkyl Amines	1
Aromatic Nitrogens	2
Basic Nitrogens	2
Smiles	CCCc1nc(C)c2n1NC(c(cc(cc1)S(N3CCN(CC)CC3)(=O)=O)c1OCC)=NC2=O
InChIKey
InChI	C23H32N6O4S

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Vardenafil