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ENAMINE-ZINC03406758

 MMsINC code: MMs01423271
Type: Neutral
Formula: C9H13N3O4
SMILES:   O=C1N(CCCC)C(=O)N(CC(=O)N)C1=O
InChI:   InChI=1/C9H13N3O4/c1-2-3-4-11-7(14)8(15)12(9(11)16)5-6(10)13/h2-5H2,1H3,(H2,10,13)

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Potential Energy
Epot(MMFF94)=-8.3802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.22 g/mol  logS: -1.63857  SlogP: -0.9374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0679961  Sterimol/B1: 2.44207  Sterimol/B2: 2.5169  Sterimol/B3: 3.84546
  Sterimol/B4: 5.31862  Sterimol/L: 14.517 
 
 Surface and Volume Properties
  Accessible surface: 436.496  Positive charged surface: 278.297  Negative charged surface: 158.199  Volume: 202
  Hydrophobic surface: 183.931  Hydrophilic surface: 252.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.