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NCID-ZINC01597506

 MMsINC code: MMs02251365
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+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.91659 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: 0.214907  Sterimol/B1: 2.24335  Sterimol/B2: 3.50594  Sterimol/B3: 4.63665
  Sterimol/B4: 9.10742  Sterimol/L: 11.9722 
 
 Surface and Volume Properties
  Accessible surface: 502.496  Positive charged surface: 362.882  Negative charged surface: 139.614  Volume: 261.5
  Hydrophobic surface: 393.24  Hydrophilic surface: 109.256
 
 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.