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PUBCHEM-ZINC01445009

 MMsINC code: MMs02806319
Type: Neutral
Formula: C11H17O2P
SMILES:   P(OCC)(OCC)c1ccc(cc1)C
InChI:   InChI=1/C11H17O2P/c1-4-12-14(13-5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.2321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.229 g/mol  logS: -2.71306  SlogP: 3.00522  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.103263  Sterimol/B1: 2.42969  Sterimol/B2: 2.46231  Sterimol/B3: 4.47291
  Sterimol/B4: 8.2431  Sterimol/L: 12.9685 
 
 Surface and Volume Properties
  Accessible surface: 466.963  Positive charged surface: 334.366  Negative charged surface: 132.596  Volume: 221.25
  Hydrophobic surface: 418.13  Hydrophilic surface: 48.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.