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PUBCHEM-ZINC05292913

 MMsINC code: MMs03234163
Type: Neutral
Formula: C12H28NP
SMILES:   P(NC(C)(C)C)(C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C12H28NP/c1-10(2,3)13-14(11(4,5)6)12(7,8)9/h13H,1-9H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.337 g/mol  logS: -1.89392  SlogP: 4.3684  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.283685  Sterimol/B1: 2.8039  Sterimol/B2: 3.86196  Sterimol/B3: 4.22576
  Sterimol/B4: 6.14058  Sterimol/L: 10.7196 
 
 Surface and Volume Properties
  Accessible surface: 426.068  Positive charged surface: 291.317  Negative charged surface: 134.751  Volume: 250.875
  Hydrophobic surface: 288.864  Hydrophilic surface: 137.204
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.