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SIAL-ZINC04786831

 MMsINC code: MMs03925189
Type: Neutral
Formula: C7H10NO3P
SMILES:   [PH](OCc1ccccc1)(ON)=O
InChI:   InChI=1/C7H12NO3P/c8-11-12(9)10-6-7-4-2-1-3-5-7/h1-5,12H,6H2,8H4

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=161.642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.135 g/mol  logS: -2.07653  SlogP: 0.6794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0725015  Sterimol/B1: 2.36155  Sterimol/B2: 3.58036  Sterimol/B3: 3.85159
  Sterimol/B4: 4.05783  Sterimol/L: 13.4772 
 
 Surface and Volume Properties
  Accessible surface: 397.226  Positive charged surface: 229.347  Negative charged surface: 167.88  Volume: 169.5
  Hydrophobic surface: 242.039  Hydrophilic surface: 155.187
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.