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NCID-ZINC05159437

 MMsINC code: MMs02444979
Type: Neutral
Formula: C10H12N4O5
SMILES:   O1C(CO)C(O)C(O)C1n1nc2N=CNC(=O)c2c1
InChI:   InChI=1/C10H12N4O5/c15-2-5-6(16)7(17)10(19-5)14-1-4-8(13-14)11-3-12-9(4)18/h1,3,5-7,10,15-17H,2H2,(H,11,12,13,18)/t5-,6+,7+,10-/m0/s1

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Potential Energy
Epot(MMFF94)=80.0351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.229 g/mol  logS: -0.29363  SlogP: -2.0067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.070163  Sterimol/B1: 3.24818  Sterimol/B2: 3.56251  Sterimol/B3: 3.65991
  Sterimol/B4: 4.9052  Sterimol/L: 13.6704 
 
 Surface and Volume Properties
  Accessible surface: 449.867  Positive charged surface: 318.385  Negative charged surface: 131.482  Volume: 219.125
  Hydrophobic surface: 151.854  Hydrophilic surface: 298.013
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.