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PUBCHEM-ZINC05819859

 MMsINC code: MMs03398934
Type: Neutral
Formula: C10H19O3PS
SMILES:   S(P(OCC)(OCC)=O)C#CCCCC
InChI:   InChI=1/C10H19O3PS/c1-4-7-8-9-10-15-14(11,12-5-2)13-6-3/h4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-7.049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.299 g/mol  logS: -3.90682  SlogP: 2.98161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0344277  Sterimol/B1: 2.60974  Sterimol/B2: 2.82247  Sterimol/B3: 3.90236
  Sterimol/B4: 6.85021  Sterimol/L: 16.9351 
 
 Surface and Volume Properties
  Accessible surface: 526.461  Positive charged surface: 356.657  Negative charged surface: 169.804  Volume: 247.625
  Hydrophobic surface: 363.377  Hydrophilic surface: 163.084
 
 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.