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NCID-ZINC05064306

 MMsINC code: MMs02435699
Type: Neutral
Formula: C9H21PS
SMILES:   S=P(C(C)C)(C(C)C)CCC
InChI:   InChI=1/C9H21PS/c1-6-7-10(11,8(2)3)9(4)5/h8-9H,6-7H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.1616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.307 g/mol  logS: -2.19336  SlogP: 3.6927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220102  Sterimol/B1: 2.74624  Sterimol/B2: 3.20759  Sterimol/B3: 4.75225
  Sterimol/B4: 6.31454  Sterimol/L: 11.38 
 
 Surface and Volume Properties
  Accessible surface: 397.891  Positive charged surface: 252.965  Negative charged surface: 144.926  Volume: 211.625
  Hydrophobic surface: 260.16  Hydrophilic surface: 137.731
 
 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.