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PUBCHEM-ZINC05672882

 MMsINC code: MMs03342871
Type: Neutral
Formula: C23H23O3P
SMILES:   P1(OC(CCO1)C)(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H23O3P/c1-19-17-18-25-27(24,26-19)23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3/t19-,27-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.408 g/mol  logS: -5.5929  SlogP: 5.2383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.489203  Sterimol/B1: 3.75701  Sterimol/B2: 5.42833  Sterimol/B3: 6.82245
  Sterimol/B4: 7.07076  Sterimol/L: 13.4146 
 
 Surface and Volume Properties
  Accessible surface: 594.165  Positive charged surface: 363.709  Negative charged surface: 230.457  Volume: 363.375
  Hydrophobic surface: 550.03  Hydrophilic surface: 44.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.