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IBS-ZINC05164395

 MMsINC code: MMs01926748
Type: Neutral
Formula: C14H24N6O2
SMILES:   O=[N+]([O-])c1c(nc(nc1N)N(CC)CC)N1CC(CCC1)C
InChI:   InChI=1/C14H24N6O2/c1-4-18(5-2)14-16-12(15)11(20(21)22)13(17-14)19-8-6-7-10(3)9-19/h10H,4-9H2,1-3H3,(H2,15,16,17)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=55.1104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.386 g/mol  logS: -3.48827  SlogP: 2.0495  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153061  Sterimol/B1: 3.3594  Sterimol/B2: 5.05791  Sterimol/B3: 5.16284
  Sterimol/B4: 6.1456  Sterimol/L: 14.2553 
 
 Surface and Volume Properties
  Accessible surface: 552.132  Positive charged surface: 391.343  Negative charged surface: 160.789  Volume: 300.25
  Hydrophobic surface: 322.64  Hydrophilic surface: 229.492
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.