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NCID-ZINC01725153

 MMsINC code: MMs02349034
Type: Neutral
Formula: C5H13PS
SMILES:   S=P(CC)(CC)C
InChI:   InChI=1/C5H13PS/c1-4-6(3,7)5-2/h4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.3095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.199 g/mol  logS: -1.00996  SlogP: 2.1355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187078  Sterimol/B1: 2.94532  Sterimol/B2: 3.35033  Sterimol/B3: 4.06137
  Sterimol/B4: 4.15171  Sterimol/L: 10.1691 
 
 Surface and Volume Properties
  Accessible surface: 319.005  Positive charged surface: 197.91  Negative charged surface: 121.095  Volume: 142.75
  Hydrophobic surface: 210.467  Hydrophilic surface: 108.538
 
 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.