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NCID-ZINC01618322

 MMsINC code: MMs02267187
Type: Neutral
Formula: C15H32N4
SMILES:   N(C(CC=1CCCC=1CC(N(C)C)CN)CN)(C)C
InChI:   InChI=1/C15H32N4/c1-18(2)14(10-16)8-12-6-5-7-13(12)9-15(11-17)19(3)4/h14-15H,5-11,16-17H2,1-4H3/t14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=116.976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.449 g/mol  logS: -0.11268  SlogP: 1.0249  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19003  Sterimol/B1: 3.09708  Sterimol/B2: 3.10889  Sterimol/B3: 4.72161
  Sterimol/B4: 8.23278  Sterimol/L: 13.3276 
 
 Surface and Volume Properties
  Accessible surface: 517.418  Positive charged surface: 470.427  Negative charged surface: 46.9908  Volume: 303.625
  Hydrophobic surface: 402.616  Hydrophilic surface: 114.802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02267189
NCID-ZINC01618322


MMs02267188
NCID-ZINC01618322