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PUBCHEM-ZINC06523354

 MMsINC code: MMs03781483
Type: Neutral
Formula: C10H15N2O6P
SMILES:   P(O)(O)(=O)COC\C=C\CN1C=C(C)C(=O)NC1=O
InChI:   InChI=1/C10H15N2O6P/c1-8-6-12(10(14)11-9(8)13)4-2-3-5-18-7-19(15,16)17/h2-3,6H,4-5,7H2,1H3,(H,11,13,14)(H2,15,16,17)/b3-2+

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Potential Energy
Epot(MMFF94)=-24.4829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.212 g/mol  logS: -0.00845  SlogP: -0.9202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120253  Sterimol/B1: 2.47759  Sterimol/B2: 2.91419  Sterimol/B3: 5.41651
  Sterimol/B4: 5.45633  Sterimol/L: 14.7459 
 
 Surface and Volume Properties
  Accessible surface: 512.373  Positive charged surface: 317.406  Negative charged surface: 194.968  Volume: 242.5
  Hydrophobic surface: 225.494  Hydrophilic surface: 286.879
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.