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NCID-ZINC01615677

 MMsINC code: MMs02265294
Type: Neutral
Formula: C19H17O2P
SMILES:   P(O)(=O)(Cc1ccccc1)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C19H17O2P/c20-22(21,15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14H,15H2,(H,20,21)

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Potential Energy
Epot(MMFF94)=81.8253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.317 g/mol  logS: -5.02978  SlogP: 3.6457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0190942  Sterimol/B1: 2.69217  Sterimol/B2: 3.60346  Sterimol/B3: 3.63943
  Sterimol/B4: 3.91207  Sterimol/L: 18.9137 
 
 Surface and Volume Properties
  Accessible surface: 562.908  Positive charged surface: 266.681  Negative charged surface: 285.155  Volume: 302.75
  Hydrophobic surface: 503.899  Hydrophilic surface: 59.009
 
 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.