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NCID-ZINC01725151

 MMsINC code: MMs02349032
Type: Neutral
Formula: C5H13PS
SMILES:   S=P(CCC)(C)C
InChI:   InChI=1/C5H13PS/c1-4-5-6(2,3)7/h4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.1597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.199 g/mol  logS: -0.88452  SlogP: 2.1355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160648  Sterimol/B1: 2.66506  Sterimol/B2: 3.51427  Sterimol/B3: 4.01413
  Sterimol/B4: 4.78597  Sterimol/L: 10.0886 
 
 Surface and Volume Properties
  Accessible surface: 329.275  Positive charged surface: 203.619  Negative charged surface: 125.656  Volume: 144.875
  Hydrophobic surface: 211.544  Hydrophilic surface: 117.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.