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PUBCHEM-ZINC02015860

 MMsINC code: MMs02852120
Type: Neutral
Formula: C8H11OP
SMILES:   P(=O)(C)(C)c1ccccc1
InChI:   InChI=1/C8H11OP/c1-10(2,9)8-6-4-3-5-7-8/h3-7H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.149 g/mol  logS: -0.92612  SlogP: 0.8644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163202  Sterimol/B1: 2.39973  Sterimol/B2: 2.61794  Sterimol/B3: 4.17276
  Sterimol/B4: 4.80169  Sterimol/L: 10.3962 
 
 Surface and Volume Properties
  Accessible surface: 348.711  Positive charged surface: 191.478  Negative charged surface: 157.233  Volume: 157.75
  Hydrophobic surface: 276.222  Hydrophilic surface: 72.489
 
 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.