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PUBCHEM-ZINC06111241

 MMsINC code: MMs03544305
Type: Neutral
Formula: C16H15O2P
SMILES:   P(O)(=O)(\C=C/c1ccccc1)\C=C/c1ccccc1
InChI:   InChI=1/C16H15O2P/c17-19(18,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H,(H,17,18)/b13-11-,14-12-

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Potential Energy
Epot(MMFF94)=87.9307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.268 g/mol  logS: -3.09258  SlogP: 3.5284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110362  Sterimol/B1: 2.4789  Sterimol/B2: 2.94301  Sterimol/B3: 3.65017
  Sterimol/B4: 6.64433  Sterimol/L: 13.4232 
 
 Surface and Volume Properties
  Accessible surface: 483.662  Positive charged surface: 286.11  Negative charged surface: 197.552  Volume: 263.875
  Hydrophobic surface: 431.92  Hydrophilic surface: 51.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.