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ENAMINE-ZINC03394019

 MMsINC code: MMs01415522
Type: Neutral
Formula: C7H10N2O4
SMILES:   O=C1N(CC(OCC)=O)C(=O)NC1
InChI:   InChI=1/C7H10N2O4/c1-2-13-6(11)4-9-5(10)3-8-7(9)12/h2-4H2,1H3,(H,8,12)

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Potential Energy
Epot(MMFF94)=-5.52316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.167 g/mol  logS: -0.76987  SlogP: -0.8987  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.080724  Sterimol/B1: 2.92012  Sterimol/B2: 3.31048  Sterimol/B3: 3.93656
  Sterimol/B4: 4.04528  Sterimol/L: 12.6214 
 
 Surface and Volume Properties
  Accessible surface: 378.893  Positive charged surface: 263.682  Negative charged surface: 115.21  Volume: 164
  Hydrophobic surface: 179.59  Hydrophilic surface: 199.303
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.