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CHEMBRIDGE-ZINC02493448

 MMsINC code: MMs00710918
Type: Neutral
Formula: C11H17O2P
SMILES:   P(O)(=O)(CCCCC)c1ccccc1
InChI:   InChI=1/C11H17O2P/c1-2-3-7-10-14(12,13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.1004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.229 g/mol  logS: -2.39492  SlogP: 1.7023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722606  Sterimol/B1: 2.35646  Sterimol/B2: 3.52925  Sterimol/B3: 4.25549
  Sterimol/B4: 4.9106  Sterimol/L: 15.2522 
 
 Surface and Volume Properties
  Accessible surface: 447.036  Positive charged surface: 276.624  Negative charged surface: 170.412  Volume: 215.25
  Hydrophobic surface: 357.17  Hydrophilic surface: 89.866
 
 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.