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CHEMBRIDGE-ZINC00301427

 MMsINC code: MMs00603980
Type: Neutral
Formula: C13H13O2P
SMILES:   P(O)(=O)(Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C13H13O2P/c14-16(15,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,14,15)

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Potential Energy
Epot(MMFF94)=47.5179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.219 g/mol  logS: -2.6034  SlogP: 1.9787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.038712  Sterimol/B1: 3.03416  Sterimol/B2: 3.30794  Sterimol/B3: 3.6361
  Sterimol/B4: 3.71531  Sterimol/L: 14.6748 
 
 Surface and Volume Properties
  Accessible surface: 446.099  Positive charged surface: 224.487  Negative charged surface: 221.612  Volume: 223.625
  Hydrophobic surface: 386.926  Hydrophilic surface: 59.173
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.