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CHEMBRIDGE-ZINC02498301

 MMsINC code: MMs00711728
Type: Neutral
Formula: C15H32N2
SMILES:   N(CC(CCC=C(C)C)C)(CCN(C)C)CC
InChI:   InChI=1/C15H32N2/c1-7-17(12-11-16(5)6)13-15(4)10-8-9-14(2)3/h9,15H,7-8,10-13H2,1-6H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=54.7051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.435 g/mol  logS: -2.29814  SlogP: 3.2524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829783  Sterimol/B1: 2.13455  Sterimol/B2: 3.0592  Sterimol/B3: 4.24682
  Sterimol/B4: 8.26823  Sterimol/L: 15.9165 
 
 Surface and Volume Properties
  Accessible surface: 565.515  Positive charged surface: 462.597  Negative charged surface: 102.918  Volume: 296.75
  Hydrophobic surface: 511.785  Hydrophilic surface: 53.73
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00711729
CHEMBRIDGE-ZINC02498301