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NCID-ZINC01642165

 MMsINC code: MMs02284072
Type: Neutral
Formula: C19H17O2P
SMILES:   P(O)(=O)(Cc1ccccc1)c1ccccc1-c1ccccc1
InChI:   InChI=1/C19H17O2P/c20-22(21,15-16-9-3-1-4-10-16)19-14-8-7-13-18(19)17-11-5-2-6-12-17/h1-14H,15H2,(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.2088 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: 0.11532  Sterimol/B1: 3.57173  Sterimol/B2: 3.70528  Sterimol/B3: 5.26469
  Sterimol/B4: 6.86312  Sterimol/L: 13.8153 
 
 Surface and Volume Properties
  Accessible surface: 534.226  Positive charged surface: 290.628  Negative charged surface: 240.615  Volume: 303.25
  Hydrophobic surface: 496.475  Hydrophilic surface: 37.751
 
 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.