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NCID-ZINC01618866

 MMsINC code: MMs02267501
Type: Neutral
Formula: C8H10N2O4
SMILES:   O=C1N(C)C(=O)N(C)C(C(O)=O)=C1C
InChI:   InChI=1/C8H10N2O4/c1-4-5(7(12)13)9(2)8(14)10(3)6(4)11/h1-3H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=10.0148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.178 g/mol  logS: -0.51266  SlogP: -0.1312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0448048  Sterimol/B1: 2.21088  Sterimol/B2: 2.50657  Sterimol/B3: 2.54567
  Sterimol/B4: 7.2384  Sterimol/L: 10.6685 
 
 Surface and Volume Properties
  Accessible surface: 361.516  Positive charged surface: 262.559  Negative charged surface: 98.9565  Volume: 171.5
  Hydrophobic surface: 217.174  Hydrophilic surface: 144.342
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02267502
NCID-ZINC01618866