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NCID-ZINC01632138

 MMsINC code: MMs02276825
Type: Neutral
Formula: C7H13N3O4
SMILES:   OC(=O)CN(CC(=O)NC)C(=O)NC
InChI:   InChI=1/C7H13N3O4/c1-8-5(11)3-10(4-6(12)13)7(14)9-2/h3-4H2,1-2H3,(H,8,11)(H,9,14)(H,12,13)

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Potential Energy
Epot(MMFF94)=9.12263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.198 g/mol  logS: 0.33325  SlogP: -1.5416  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126055  Sterimol/B1: 2.83739  Sterimol/B2: 3.32451  Sterimol/B3: 4.17017
  Sterimol/B4: 6.17094  Sterimol/L: 11.6921 
 
 Surface and Volume Properties
  Accessible surface: 412.724  Positive charged surface: 321.484  Negative charged surface: 91.2403  Volume: 183.875
  Hydrophobic surface: 226.968  Hydrophilic surface: 185.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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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Ions/Tautomers related molecules


MMs02276826
NCID-ZINC01632138