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IBS-ZINC05026794

 MMsINC code: MMs01915155
Type: Tautomer
Formula: C16H28N4O3
SMILES:   O=C\1N(CCCC)C(=O)NC(=O)/C/1=C/NCCCN(CC)CC
InChI:   InChI=1/C16H28N4O3/c1-4-7-11-20-15(22)13(14(21)18-16(20)23)12-17-9-8-10-19(5-2)6-3/h12,17H,4-11H2,1-3H3,(H,18,21,23)/b13-12+

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Potential Energy
Epot(MMFF94)=-2.87886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.425 g/mol  logS: -2.26918  SlogP: 1.0703  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0373936  Sterimol/B1: 2.17058  Sterimol/B2: 3.05166  Sterimol/B3: 5.04256
  Sterimol/B4: 5.34383  Sterimol/L: 19.9706 
 
 Surface and Volume Properties
  Accessible surface: 638.965  Positive charged surface: 464.421  Negative charged surface: 174.544  Volume: 327.375
  Hydrophobic surface: 421.754  Hydrophilic surface: 217.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  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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MMs01915154
IBS-ZINC05026794