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PUBCHEM-ZINC05856566

 MMsINC code: MMs03419967
Type: Neutral
Formula: C10H14N3O7P
SMILES:   P(O)(O)(=O)CC1OC(N2C=CC(=NC2=O)NC(=O)C)CO1
InChI:   InChI=1/C10H14N3O7P/c1-6(14)11-7-2-3-13(10(15)12-7)8-4-19-9(20-8)5-21(16,17)18/h2-3,8-9H,4-5H2,1H3,(H2,16,17,18)(H,11,12,14,15)/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=4.82303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.21 g/mol  logS: -0.32256  SlogP: -1.7232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618708  Sterimol/B1: 3.30538  Sterimol/B2: 3.31159  Sterimol/B3: 3.9031
  Sterimol/B4: 6.3367  Sterimol/L: 14.2371 
 
 Surface and Volume Properties
  Accessible surface: 490.347  Positive charged surface: 324.226  Negative charged surface: 166.12  Volume: 251.5
  Hydrophobic surface: 277.348  Hydrophilic surface: 212.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.