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NCID-ZINC04802678

 MMsINC code: MMs02407645
Type: Tautomer
Formula: C17H34N2
SMILES:   N(CCCC(N1CC2C(CCCC2)C1)C)(CC)CC
InChI:   InChI=1/C17H34N2/c1-4-18(5-2)12-8-9-15(3)19-13-16-10-6-7-11-17(16)14-19/h15-17H,4-14H2,1-3H3/t15-,16+,17+/m0/s1

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Potential Energy
Epot(MMFF94)=49.4412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.473 g/mol  logS: -2.65581  SlogP: 3.6189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102123  Sterimol/B1: 2.27288  Sterimol/B2: 3.99418  Sterimol/B3: 5.43261
  Sterimol/B4: 5.69569  Sterimol/L: 15.7868 
 
 Surface and Volume Properties
  Accessible surface: 568.218  Positive charged surface: 466.72  Negative charged surface: 101.498  Volume: 313.125
  Hydrophobic surface: 504.338  Hydrophilic surface: 63.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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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Parent related molecule:


MMs02407644
NCID-ZINC04802678