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NCID-ZINC01597504

 MMsINC code: MMs02251363
Type: Neutral
Formula: C11H23O3PS
SMILES:   S=P(OC1CCCCC1C)(OCC)OCC
InChI:   InChI=1/C11H23O3PS/c1-4-12-15(16,13-5-2)14-11-9-7-6-8-10(11)3/h10-11H,4-9H2,1-3H3/t10-,11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.4155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.342 g/mol  logS: -3.44655  SlogP: 3.8792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119547  Sterimol/B1: 2.04943  Sterimol/B2: 3.67616  Sterimol/B3: 4.21871
  Sterimol/B4: 9.1477  Sterimol/L: 12.9488 
 
 Surface and Volume Properties
  Accessible surface: 507.861  Positive charged surface: 363.602  Negative charged surface: 144.259  Volume: 260.25
  Hydrophobic surface: 393.946  Hydrophilic surface: 113.915
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.