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NCID-ZINC01725154

 MMsINC code: MMs02349035
Type: Neutral
Formula: C4H11PS
SMILES:   S=P(CC)(C)C
InChI:   InChI=1/C4H11PS/c1-4-5(2,3)6/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.2504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.172 g/mol  logS: -0.68275  SlogP: 1.7454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24416  Sterimol/B1: 3.14699  Sterimol/B2: 3.4068  Sterimol/B3: 3.90757
  Sterimol/B4: 4.44697  Sterimol/L: 8.90581 
 
 Surface and Volume Properties
  Accessible surface: 299.4  Positive charged surface: 179.417  Negative charged surface: 119.984  Volume: 127.5
  Hydrophobic surface: 185.544  Hydrophilic surface: 113.856
 
 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.