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IBS-ZINC04812980

 MMsINC code: MMs01896654
Type: Ionized
Formula: C11H19N4O3+
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNCC[NH+](C)C
InChI:   InChI=1/C11H18N4O3/c1-13(2)6-5-12-7-8-9(16)14(3)11(18)15(4)10(8)17/h7,12H,5-6H2,1-4H3/p+1

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Potential Energy
Epot(MMFF94)=6.03356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.298 g/mol  logS: -0.23841  SlogP: -2.3452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0289869  Sterimol/B1: 2.63559  Sterimol/B2: 2.86755  Sterimol/B3: 3.42213
  Sterimol/B4: 6.6358  Sterimol/L: 15.2692 
 
 Surface and Volume Properties
  Accessible surface: 497.156  Positive charged surface: 415.006  Negative charged surface: 82.1505  Volume: 248.125
  Hydrophobic surface: 330.119  Hydrophilic surface: 167.037
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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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Parent related molecule:


MMs01896653
IBS-ZINC04812980