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NCID-ZINC01725152

 MMsINC code: MMs02349033
Type: Neutral
Formula: C7H17PS
SMILES:   S=P(CCC)(CCC)C
InChI:   InChI=1/C7H17PS/c1-4-6-8(3,9)7-5-2/h4-7H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.9774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.253 g/mol  logS: -1.4135  SlogP: 2.9157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0958716  Sterimol/B1: 2.56279  Sterimol/B2: 2.81314  Sterimol/B3: 4.5625
  Sterimol/B4: 4.82311  Sterimol/L: 12.6268 
 
 Surface and Volume Properties
  Accessible surface: 381.094  Positive charged surface: 253.096  Negative charged surface: 127.999  Volume: 179.125
  Hydrophobic surface: 268.736  Hydrophilic surface: 112.358
 
 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.