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NCID-ZINC01705269

 MMsINC code: MMs02333876
Type: Neutral
Formula: C14H15OP
SMILES:   P(=O)(Cc1ccccc1)(C)c1ccccc1
InChI:   InChI=1/C14H15OP/c1-16(15,14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3/t16-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.9896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.247 g/mol  logS: -2.69402  SlogP: 2.7012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121868  Sterimol/B1: 2.26803  Sterimol/B2: 2.39432  Sterimol/B3: 5.13819
  Sterimol/B4: 5.54178  Sterimol/L: 14.6661 
 
 Surface and Volume Properties
  Accessible surface: 450.376  Positive charged surface: 246.311  Negative charged surface: 204.065  Volume: 236.875
  Hydrophobic surface: 409.662  Hydrophilic surface: 40.714
 
 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.