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NCID-ZINC00388496

 MMsINC code: MMs02214628
Type: Neutral
Formula: C14H15O3P
SMILES:   P(OCc1ccccc1)(OCc1ccccc1)O
InChI:   InChI=1/C14H15O3P/c15-18(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.1027 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.245 g/mol  logS: -3.20604  SlogP: 4.172  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0953703  Sterimol/B1: 2.57124  Sterimol/B2: 3.21049  Sterimol/B3: 4.1414
  Sterimol/B4: 6.69561  Sterimol/L: 14.7025 
 
 Surface and Volume Properties
  Accessible surface: 528.719  Positive charged surface: 313.887  Negative charged surface: 214.832  Volume: 252.875
  Hydrophobic surface: 435.921  Hydrophilic surface: 92.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.