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Compound 49
  CheckMol                        TMF02:r0:m0
MF=C13H20N6O4 MW=324.34
 23 24  0  3  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4584    0.3201   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.4544   -0.7826   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.9090    1.7667   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9128   -0.4624   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.1501    3.0828   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.3674    2.0868   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.3634    0.9841   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    4.9088   -1.5651   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1461    4.2093   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.5097    3.5927   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    4.8021    4.3634   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0945    3.6164   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3869    4.3871   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6794    3.6401   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9718    4.4108   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2642    3.6638   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2523    2.1698   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5566    4.4345   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5448    5.9522   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8490    3.6875   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1415    4.4583   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8372    2.1936   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5 02  0  1  0  0
  4  6 01  0  1  0  0
  4  7 02  0  2  0  0
  5  8 01  0  1  0  0
  5  9  1  0  0  0  0
  6 10 02  0  1  0  0
  7 11 01  0  1  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7  8 01  0  1  0  0
 10 11 01  0  1  0  0
M  END

Valacyclovir

₹ 0.00 0.00

Chemical Name - Valacyclovir
Mol Weight - 324.34
Smiles - CC(C)[C@@H](C(OCCOCn1c(NC(N)=NC2=O)c2nc1)=O)N

Property Name	Property Value
Mol Name	Valacyclovir
Molweight	324.34
Monoisotopic Mass	324.154604
Clogp	-1.2529
Clogs	-2.404
H Acceptors	10
H Donors	3
Total Surface Area	245.49
Relative Psa	0.47835
Polar Surface Area	146.85
Druglikeness	-20.843
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.6087
Molecular Flexibility	0.60326
Molecular Complexity	0.78295
Fragments	1
Non H Atoms	23
Non Ch Atoms	10
Electronegative Atoms	10
Stereo Centers	1
Rotatable Bonds	8
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	10
Symmetric Atoms	1
Amines	1
Alkyl Amines	1
Aromatic Nitrogens	2
Basic Nitrogens	3
Smiles	CC(C)[C@@H](C(OCCOCn1c(NC(N)=NC2=O)c2nc1)=O)N
InChIKey
InChI	C13H20N6O4

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Valacyclovir