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PUBCHEM-ZINC04528699

 MMsINC code: MMs03128804
Type: Neutral
Formula: C19H19O3P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)C
InChI:   InChI=1/C19H19O3P/c1-23(20-17-11-5-2-6-12-17,21-18-13-7-3-8-14-18)22-19-15-9-4-10-16-19/h2-16,23H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=585.16 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.332 g/mol  logS: -5.47223  SlogP: 5.3481  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.167077  Sterimol/B1: 1.969  Sterimol/B2: 3.38366  Sterimol/B3: 3.756
  Sterimol/B4: 9.16098  Sterimol/L: 12.374 
 
 Surface and Volume Properties
  Accessible surface: 480.817  Positive charged surface: 288.95  Negative charged surface: 191.867  Volume: 296.375
  Hydrophobic surface: 440.54  Hydrophilic surface: 40.277
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.