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IBS-ZINC01900163

 MMsINC code: MMs01780198
Type: Ionized
Formula: C10H23N4+
SMILES:   [NH2+]=C(NCCCC\N=C\CC(C)C)N
InChI:   InChI=1/C10H22N4/c1-9(2)5-8-13-6-3-4-7-14-10(11)12/h8-9H,3-7H2,1-2H3,(H4,11,12,14)/p+1/b13-8-

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Potential Energy
Epot(MMFF94)=3.08616e+08 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.322 g/mol  logS: -1.65712  SlogP: -0.4531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0457914  Sterimol/B1: 2.13778  Sterimol/B2: 2.77572  Sterimol/B3: 4.17012
  Sterimol/B4: 4.43877  Sterimol/L: 16.1133 
 
 Surface and Volume Properties
  Accessible surface: 492.525  Positive charged surface: 413.393  Negative charged surface: 79.1325  Volume: 230.75
  Hydrophobic surface: 281.011  Hydrophilic surface: 211.514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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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Parent related molecule:


MMs01780194
IBS-ZINC01900163