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NCID-ZINC05957709

 MMsINC code: MMs02513882
Type: Neutral
Formula: C13H20N4O4
SMILES:   O=C1NC(CC1)C(=O)NC(C(=O)N1CCCC1C(=O)N)C
InChI:   InChI=1/C13H20N4O4/c1-7(15-12(20)8-4-5-10(18)16-8)13(21)17-6-2-3-9(17)11(14)19/h7-9H,2-6H2,1H3,(H2,14,19)(H,15,20)(H,16,18)/t7-,8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=75.5454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.327 g/mol  logS: -1.39294  SlogP: -1.754  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0757267  Sterimol/B1: 2.20503  Sterimol/B2: 2.53441  Sterimol/B3: 4.84336
  Sterimol/B4: 7.45235  Sterimol/L: 15.5132 
 
 Surface and Volume Properties
  Accessible surface: 535.216  Positive charged surface: 365.91  Negative charged surface: 169.306  Volume: 270.5
  Hydrophobic surface: 290.716  Hydrophilic surface: 244.5
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.