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NCID-ZINC01618327

 MMsINC code: MMs02267199
Type: Neutral
Formula: C19H40N4
SMILES:   N(C(CC=1CCCC=1CC(N(C)C)CN(C)C)CN(C)C)(C)C
InChI:   InChI=1/C19H40N4/c1-20(2)14-18(22(5)6)12-16-10-9-11-17(16)13-19(23(7)8)15-21(3)4/h18-19H,9-15H2,1-8H3/t18-,19-/m0/s1

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Potential Energy
Epot(MMFF94)=147.741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.557 g/mol  logS: -0.52574  SlogP: 2.2307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207056  Sterimol/B1: 4.37336  Sterimol/B2: 4.71042  Sterimol/B3: 5.5779
  Sterimol/B4: 6.23224  Sterimol/L: 14.6264 
 
 Surface and Volume Properties
  Accessible surface: 609.472  Positive charged surface: 584.602  Negative charged surface: 24.8705  Volume: 375
  Hydrophobic surface: 608.739  Hydrophilic surface: 0.73299999999995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02267200
NCID-ZINC01618327


MMs02267201
NCID-ZINC01618327