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PHARMEK-ZINC01894738

 MMsINC code: MMs02624003
Type: Neutral
Formula: C11H19O5P
SMILES:   P(OCC)(OCC)(=O)Cc1oc(cc1)COC
InChI:   InChI=1/C11H19O5P/c1-4-14-17(12,15-5-2)9-11-7-6-10(16-11)8-13-3/h6-7H,4-5,8-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.6926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.242 g/mol  logS: -2.05439  SlogP: 2.6547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668887  Sterimol/B1: 2.01975  Sterimol/B2: 2.92467  Sterimol/B3: 4.02415
  Sterimol/B4: 7.96004  Sterimol/L: 16.1621 
 
 Surface and Volume Properties
  Accessible surface: 534.587  Positive charged surface: 394.083  Negative charged surface: 140.504  Volume: 248.875
  Hydrophobic surface: 427.376  Hydrophilic surface: 107.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.