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NCID-ZINC05159443

 MMsINC code: MMs02444984
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)=77.1105 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: 0.131168  Sterimol/B1: 2.32304  Sterimol/B2: 3.10306  Sterimol/B3: 4.55868
  Sterimol/B4: 5.37361  Sterimol/L: 12.7389 
 
 Surface and Volume Properties
  Accessible surface: 447.203  Positive charged surface: 311.677  Negative charged surface: 135.526  Volume: 218.5
  Hydrophobic surface: 140.381  Hydrophilic surface: 306.822
 
 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.