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NCID-ZINC01711254

 MMsINC code: MMs02338323
Type: Neutral
Formula: C11H23O3PS
SMILES:   S=P(OCC1CCCCC1)(OCC)OCC
InChI:   InChI=1/C11H23O3PS/c1-3-12-15(16,13-4-2)14-10-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.16881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.342 g/mol  logS: -3.94801  SlogP: 3.8808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0632496  Sterimol/B1: 2.30816  Sterimol/B2: 2.69704  Sterimol/B3: 4.97716
  Sterimol/B4: 9.05037  Sterimol/L: 14.2378 
 
 Surface and Volume Properties
  Accessible surface: 528.67  Positive charged surface: 379.985  Negative charged surface: 148.685  Volume: 259.25
  Hydrophobic surface: 412.004  Hydrophilic surface: 116.666
 
 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.