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CHEMBRIDGE-ZINC00270526

 MMsINC code: MMs00599156
Type: Neutral
Formula: C14H15OP
SMILES:   [PH](=O)(Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C14H15OP/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16H,11-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.2838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.247 g/mol  logS: -3.24939  SlogP: 3.4091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0912161  Sterimol/B1: 2.11153  Sterimol/B2: 3.61803  Sterimol/B3: 3.62398
  Sterimol/B4: 4.58282  Sterimol/L: 14.6844 
 
 Surface and Volume Properties
  Accessible surface: 471.156  Positive charged surface: 249.242  Negative charged surface: 221.913  Volume: 235.625
  Hydrophobic surface: 447.162  Hydrophilic surface: 23.994
 
 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.