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PUBCHEM-ZINC03159945

MMsINC code: MMs03003161

Type: Neutral
Formula: C15H17OP
SMILES:   P(=O)(Cc1ccccc1)(CC)c1ccccc1
InChI:   InChI=1/C15H17OP/c1-2-17(16,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=48.2135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.274 g/mol  logS: -3.02123  SlogP: 3.0913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135109  Sterimol/B1: 2.40849  Sterimol/B2: 3.54099  Sterimol/B3: 3.54489
  Sterimol/B4: 6.45293  Sterimol/L: 14.6301 
 
 Surface and Volume Properties
  Accessible surface: 474.968  Positive charged surface: 271.571  Negative charged surface: 203.396  Volume: 255.5
  Hydrophobic surface: 435.348  Hydrophilic surface: 39.62
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.