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PUBCHEM-ZINC03165241

 MMsINC code: MMs03004075
Type: Neutral
Formula: C9H13OP
SMILES:   P(=O)(C)(C)c1ccccc1C
InChI:   InChI=1/C9H13OP/c1-8-6-4-5-7-9(8)11(2,3)10/h4-7H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.7137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.176 g/mol  logS: -1.08659  SlogP: 1.17282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144103  Sterimol/B1: 2.17436  Sterimol/B2: 2.95839  Sterimol/B3: 3.90324
  Sterimol/B4: 6.51819  Sterimol/L: 10.4488 
 
 Surface and Volume Properties
  Accessible surface: 363.506  Positive charged surface: 204.041  Negative charged surface: 159.465  Volume: 174.125
  Hydrophobic surface: 297.037  Hydrophilic surface: 66.469
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.