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ENAMINE-ZINC03194642

 MMsINC code: MMs01302507
Type: Neutral
Formula: C16H13O3P
SMILES:   P1(O)(=O)C=C(OC(=C1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C16H13O3P/c17-20(18)11-15(13-7-3-1-4-8-13)19-16(12-20)14-9-5-2-6-10-14/h1-12H,(H,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.2198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.251 g/mol  logS: -3.71359  SlogP: 3.214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210783  Sterimol/B1: 2.95524  Sterimol/B2: 3.1682  Sterimol/B3: 3.16915
  Sterimol/B4: 7.75094  Sterimol/L: 14.3642 
 
 Surface and Volume Properties
  Accessible surface: 499.704  Positive charged surface: 236.829  Negative charged surface: 262.875  Volume: 260.875
  Hydrophobic surface: 382.462  Hydrophilic surface: 117.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.