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NCID-ZINC01756225

 MMsINC code: MMs02364745
Type: Neutral
Formula: C9H21PS
SMILES:   S=P(CCC)(CCC)CCC
InChI:   InChI=1/C9H21PS/c1-4-7-10(11,8-5-2)9-6-3/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.4233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.307 g/mol  logS: -1.94248  SlogP: 3.6959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107815  Sterimol/B1: 2.07924  Sterimol/B2: 2.83694  Sterimol/B3: 4.58286
  Sterimol/B4: 8.13224  Sterimol/L: 12.3974 
 
 Surface and Volume Properties
  Accessible surface: 432.044  Positive charged surface: 296.257  Negative charged surface: 135.786  Volume: 212.875
  Hydrophobic surface: 318.829  Hydrophilic surface: 113.215
 
 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.