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NCID-ZINC01725155

 MMsINC code: MMs02349036
Type: Neutral
Formula: C7H17PS
SMILES:   S=P(CCC)(CC)CC
InChI:   InChI=1/C7H17PS/c1-4-7-8(9,5-2)6-3/h4-7H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.3467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.253 g/mol  logS: -1.53894  SlogP: 2.9157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154575  Sterimol/B1: 2.9905  Sterimol/B2: 4.42032  Sterimol/B3: 4.60488
  Sterimol/B4: 4.82485  Sterimol/L: 10.2994 
 
 Surface and Volume Properties
  Accessible surface: 371.47  Positive charged surface: 246.838  Negative charged surface: 124.632  Volume: 178.5
  Hydrophobic surface: 265.182  Hydrophilic surface: 106.288
 
 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.