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PUBCHEM-ZINC03643241

 MMsINC code: MMs03032147
Type: Neutral
Formula: C6H15O2PS
SMILES:   S(P(OC)(=O)CCCC)C
InChI:   InChI=1/C6H15O2PS/c1-4-5-6-9(7,8-2)10-3/h4-6H2,1-3H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-7.92701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.224 g/mol  logS: -1.50482  SlogP: 1.9188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0813877  Sterimol/B1: 2.80312  Sterimol/B2: 3.28842  Sterimol/B3: 3.60632
  Sterimol/B4: 4.49555  Sterimol/L: 13.08 
 
 Surface and Volume Properties
  Accessible surface: 389.508  Positive charged surface: 254.989  Negative charged surface: 134.519  Volume: 176.5
  Hydrophobic surface: 291.48  Hydrophilic surface: 98.028
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.