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PUBCHEM-ZINC03643239

 MMsINC code: MMs03032146
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-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-7.94651 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: 0.0813776  Sterimol/B1: 2.80242  Sterimol/B2: 3.28837  Sterimol/B3: 3.60633
  Sterimol/B4: 4.49608  Sterimol/L: 13.08 
 
 Surface and Volume Properties
  Accessible surface: 386.992  Positive charged surface: 253.81  Negative charged surface: 133.182  Volume: 176.5
  Hydrophobic surface: 290.313  Hydrophilic surface: 96.679
 
 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.