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NCID-ZINC01675112

 MMsINC code: MMs02310501
Type: Neutral
Formula: C11H26N3+
SMILES:   [NH+](CC)=C(N(CC)CC)N(CC)CC
InChI:   InChI=1/C11H25N3/c1-6-12-11(13(7-2)8-3)14(9-4)10-5/h6-10H2,1-5H3/p+1

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Potential Energy
Epot(MMFF94)=-15.9274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.35 g/mol  logS: -1.09878  SlogP: 0.1265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.365312  Sterimol/B1: 2.27311  Sterimol/B2: 3.4664  Sterimol/B3: 4.70268
  Sterimol/B4: 7.50887  Sterimol/L: 9.86377 
 
 Surface and Volume Properties
  Accessible surface: 443.835  Positive charged surface: 348.38  Negative charged surface: 95.4553  Volume: 244.25
  Hydrophobic surface: 336.691  Hydrophilic surface: 107.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 3
  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


MMs02310502
NCID-ZINC01675112