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IBS-ZINC05177385

 MMsINC code: MMs01927562
Type: Neutral
Formula: C11H19N4O3+
SMILES:   O=C\1N(C)C(=O)NC(=O)/C/1=C/NCC[N+](C)(C)C
InChI:   InChI=1/C11H18N4O3/c1-14-10(17)8(9(16)13-11(14)18)7-12-5-6-15(2,3)4/h7H,5-6H2,1-4H3,(H-,12,13,16,17,18)/p+1

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Potential Energy
Epot(MMFF94)=36.7015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.298 g/mol  logS: -0.23841  SlogP: -1.1257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0418731  Sterimol/B1: 2.80587  Sterimol/B2: 3.46673  Sterimol/B3: 3.60524
  Sterimol/B4: 5.20174  Sterimol/L: 15.4957 
 
 Surface and Volume Properties
  Accessible surface: 480.929  Positive charged surface: 388.02  Negative charged surface: 92.9092  Volume: 242.5
  Hydrophobic surface: 272.593  Hydrophilic surface: 208.336
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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: no related molecules available.