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PUBCHEM-ZINC03165266

 MMsINC code: MMs03004091
Type: Neutral
Formula: C11H17OP
SMILES:   P(=O)(Cc1ccccc1)(CC)CC
InChI:   InChI=1/C11H17OP/c1-3-13(12,4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.4618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.23 g/mol  logS: -1.52458  SlogP: 2.7857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150718  Sterimol/B1: 2.55259  Sterimol/B2: 2.56742  Sterimol/B3: 4.22772
  Sterimol/B4: 6.61579  Sterimol/L: 12.1119 
 
 Surface and Volume Properties
  Accessible surface: 415.511  Positive charged surface: 263.454  Negative charged surface: 152.056  Volume: 210.625
  Hydrophobic surface: 354.453  Hydrophilic surface: 61.058
 
 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.