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Compound 94
  CheckMol                        TMF02:r0:m0
MF=C25H25N5O4 MW=459.50
 34 38  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4807   -0.2961   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545   -1.7176   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4994    0.8292   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.9595   -2.8192   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.4352   -2.0137   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3572    2.3335   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9801    0.5330   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4333   -4.2407   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.4975   -2.4994   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.4539   -0.8884   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7431    2.9613   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.0661    3.0916   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.7382    1.8479   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.4383   -5.3423   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.4925   -3.6010   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.0779    4.6079   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.2251    2.3572   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.2425    2.0137   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0187   -5.0224   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.2132    5.3660   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.5162    3.1153   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.1428    0.8055   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8703    3.3996   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0137   -6.1241   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5044    4.6197   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.4707   -5.8042   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5399   -7.5455   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7955    5.3778   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9208   -4.3591   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4657   -6.9059   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5349   -8.6471   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0867    4.6434   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9919   -8.3273   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  0  0  0
  3  6  1  0  1  0  0
  4  7 01  0  1  0  0
  4  8 02  0  2  0  0
  5  9 02  0  1  0  0
  5 10 01  0  1  0  0
  6 11  1  0  1  0  0
  7 12 01  0  1  0  0
  7 13  1  0  0  0  0
  8 14 01  0  1  0  0
  9 15 01  0  1  0  0
 10 16 02  0  1  0  0
 13 17 02  0  1  0  0
 13 18 01  0  1  0  0
 14 19  1  0  0  0  0
 15 20 02  0  1  0  0
 17 21 01  0  1  0  0
 18 22 02  0  1  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26 02  0  1  0  0
 25 27  1  0  1  0  0
 25 28  1  0  1  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  1  0  0
 28 32  1  0  1  0  0
 29 33  1  0  0  0  0
 31 34  1  0  1  0  0
  8 11  1  0  1  0  0
 12 14 02  0  1  0  0
 16 20 01  0  1  0  0
 22 26 01  0  1  0  0
 32 34  1  0  1  0  0
M  END

Apixaban

₹ 0.00 0.00

Chemical Name - Apixaban
Mol Weight - 459.505
Smiles - COc(cc1)ccc1-n1nc(C(N)=O)c(CCN2c(cc3)ccc3N(CCCC3)C3=O)c1C2=O

Property Name	Property Value
Mol Name	Apixaban
Molweight	459.505
Monoisotopic Mass	459.190655
Clogp	1.6048
Clogs	-4.317
H Acceptors	9
H Donors	1
Total Surface Area	340.93
Relative Psa	0.26202
Polar Surface Area	110.76
Druglikeness	3.2654
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.52941
Molecular Flexibility	0.32127
Molecular Complexity	0.93257
Fragments	1
Non H Atoms	34
Non Ch Atoms	9
Electronegative Atoms	9
Rotatable Bonds	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3 Atoms	8
Symmetric Atoms	4
Amides	3
Aromatic Nitrogens	2
Smiles	COc(cc1)ccc1-n1nc(C(N)=O)c(CCN2c(cc3)ccc3N(CCCC3)C3=O)c1C2=O
InChIKey
InChI	C25H25N5O4

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Apixaban