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ENAMINE-ZINC03454227

 MMsINC code: MMs01452934
Type: Neutral
Formula: C10H14N4O5
SMILES:   O=C1N(CC(C)C)C(=O)N(CC(=O)NC(=O)N)C1=O
InChI:   InChI=1/C10H14N4O5/c1-5(2)3-13-7(16)8(17)14(10(13)19)4-6(15)12-9(11)18/h5H,3-4H2,1-2H3,(H3,11,12,15,18)

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Potential Energy
Epot(MMFF94)=-12.2781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.245 g/mol  logS: -1.55365  SlogP: -1.3719  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729918  Sterimol/B1: 2.29092  Sterimol/B2: 2.62949  Sterimol/B3: 4.424
  Sterimol/B4: 6.08134  Sterimol/L: 15.4958 
 
 Surface and Volume Properties
  Accessible surface: 475.036  Positive charged surface: 296.203  Negative charged surface: 178.834  Volume: 229.5
  Hydrophobic surface: 163.887  Hydrophilic surface: 311.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.