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PUBCHEM-ZINC03160013

 MMsINC code: MMs03003188
Type: Neutral
Formula: C15H25OP
SMILES:   P(=O)(C(C)(C)C)(C(C)(C)C)c1ccc(cc1)C
InChI:   InChI=1/C15H25OP/c1-12-8-10-13(11-9-12)17(16,14(2,3)4)15(5,6)7/h8-11H,1-7H3

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Potential Energy
Epot(MMFF94)=81.8105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.338 g/mol  logS: -3.3633  SlogP: 3.51022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221369  Sterimol/B1: 3.28632  Sterimol/B2: 4.35034  Sterimol/B3: 5.07965
  Sterimol/B4: 5.11156  Sterimol/L: 12.2341 
 
 Surface and Volume Properties
  Accessible surface: 467.541  Positive charged surface: 291.515  Negative charged surface: 176.026  Volume: 272.25
  Hydrophobic surface: 361.321  Hydrophilic surface: 106.22
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.