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NCID-ZINC01585867

 MMsINC code: MMs02242145
Type: Neutral
Formula: C11H15N3O4
SMILES:   O=C1N(CN(CN2C(=O)CCC2=O)C)C(=O)CC1
InChI:   InChI=1/C11H15N3O4/c1-12(6-13-8(15)2-3-9(13)16)7-14-10(17)4-5-11(14)18/h2-7H2,1H3

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Potential Energy
Epot(MMFF94)=-27.2474 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.258 g/mol  logS: 0.36743  SlogP: -0.8688  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125308  Sterimol/B1: 2.42014  Sterimol/B2: 2.95404  Sterimol/B3: 4.15662
  Sterimol/B4: 5.60633  Sterimol/L: 13.3237 
 
 Surface and Volume Properties
  Accessible surface: 444.664  Positive charged surface: 299.886  Negative charged surface: 144.778  Volume: 227.25
  Hydrophobic surface: 292.631  Hydrophilic surface: 152.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: no related molecules available.