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CHEMBRIDGE-ZINC00270524

 MMsINC code: MMs00599155
Type: Neutral
Formula: C12H28NPS
SMILES:   S=P(NC(C)(C)C)(C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C12H28NPS/c1-10(2,3)13-14(15,11(4,5)6)12(7,8)9/h1-9H3,(H,13,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=246.755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.403 g/mol  logS: -2.99772  SlogP: 4.366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.30758  Sterimol/B1: 2.67197  Sterimol/B2: 3.94915  Sterimol/B3: 4.04261
  Sterimol/B4: 6.63051  Sterimol/L: 11.0491 
 
 Surface and Volume Properties
  Accessible surface: 434.464  Positive charged surface: 277.384  Negative charged surface: 157.08  Volume: 264.25
  Hydrophobic surface: 273.083  Hydrophilic surface: 161.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.