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ENAMINE-ZINC03223833

 MMsINC code: MMs01314972
Type: Neutral
Formula: C17H15O3PS
SMILES:   S=P(Oc1ccccc1)(Oc1ccccc1)c1oc(cc1)C
InChI:   InChI=1/C17H15O3PS/c1-14-12-13-17(18-14)21(22,19-15-8-4-2-5-9-15)20-16-10-6-3-7-11-16/h2-13H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.7608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.344 g/mol  logS: -6.31598  SlogP: 4.68082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0610427  Sterimol/B1: 3.53463  Sterimol/B2: 3.54824  Sterimol/B3: 3.69679
  Sterimol/B4: 8.08566  Sterimol/L: 14.4671 
 
 Surface and Volume Properties
  Accessible surface: 540.096  Positive charged surface: 277.547  Negative charged surface: 262.55  Volume: 301.875
  Hydrophobic surface: 490.594  Hydrophilic surface: 49.502
 
 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.