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NCID-ZINC01607286

 MMsINC code: MMs02259104
Type: Neutral
Formula: C6H13PS3
SMILES:   S1P(SCC1)SCCCC
InChI:   InChI=1/C6H13PS3/c1-2-3-4-8-7-9-5-6-10-7/h2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.56497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.342 g/mol  logS: -3.75618  SlogP: 4.2266  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0703502  Sterimol/B1: 2.43036  Sterimol/B2: 3.67307  Sterimol/B3: 3.78244
  Sterimol/B4: 4.6924  Sterimol/L: 13.2533 
 
 Surface and Volume Properties
  Accessible surface: 411.082  Positive charged surface: 263.416  Negative charged surface: 147.666  Volume: 193.625
  Hydrophobic surface: 253.135  Hydrophilic surface: 157.947
 
 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.