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CHEMBRIDGE-ZINC02035123

 MMsINC code: MMs00700780
Type: Neutral
Formula: C9H21O3PS
SMILES:   S(P(OCCCC)(OCCCC)=O)C
InChI:   InChI=1/C9H21O3PS/c1-4-6-8-11-13(10,14-3)12-9-7-5-2/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-17.1388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.304 g/mol  logS: -2.80358  SlogP: 3.0207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0579315  Sterimol/B1: 2.43382  Sterimol/B2: 2.54715  Sterimol/B3: 4.92464
  Sterimol/B4: 6.46145  Sterimol/L: 17.1416 
 
 Surface and Volume Properties
  Accessible surface: 510.247  Positive charged surface: 341.723  Negative charged surface: 168.525  Volume: 240.875
  Hydrophobic surface: 384.084  Hydrophilic surface: 126.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.