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PUBCHEM-ZINC03165071

 MMsINC code: MMs03004050
Type: Neutral
Formula: C12H20NP
SMILES:   P(Nc1ccccc1)(C(C)C)C(C)C
InChI:   InChI=1/C12H20NP/c1-10(2)14(11(3)4)13-12-8-6-5-7-9-12/h5-11,13H,1-4H3

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Potential Energy
Epot(MMFF94)=48.4972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.273 g/mol  logS: -2.08173  SlogP: 4.3122  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.220179  Sterimol/B1: 2.45388  Sterimol/B2: 2.97974  Sterimol/B3: 4.74467
  Sterimol/B4: 7.45229  Sterimol/L: 12.3578 
 
 Surface and Volume Properties
  Accessible surface: 445.007  Positive charged surface: 286.832  Negative charged surface: 158.175  Volume: 233.625
  Hydrophobic surface: 360.047  Hydrophilic surface: 84.96
 
 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.