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NCID-ZINC01602481

 MMsINC code: MMs02255323
Type: Neutral
Formula: C15H27O7P
SMILES:   P(OCC1OCCC1)(OCC1OCCC1)(OCC1OCCC1)=O
InChI:   InChI=1/C15H27O7P/c16-23(20-10-13-4-1-7-17-13,21-11-14-5-2-8-18-14)22-12-15-6-3-9-19-15/h13-15H,1-12H2/t13-,14-,15+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.7158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.348 g/mol  logS: -1.951  SlogP: 1.6111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110417  Sterimol/B1: 2.52392  Sterimol/B2: 3.37018  Sterimol/B3: 5.11008
  Sterimol/B4: 9.25793  Sterimol/L: 16.4245 
 
 Surface and Volume Properties
  Accessible surface: 642.624  Positive charged surface: 514.766  Negative charged surface: 127.858  Volume: 325
  Hydrophobic surface: 562.618  Hydrophilic surface: 80.006
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.