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NCID-ZINC01646791

 MMsINC code: MMs02287410
Type: Neutral
Formula: C11H10N4O4
SMILES:   O=C1NC(=O)NC(NNc2ccc(cc2)C(O)=O)=C1
InChI:   InChI=1/C11H10N4O4/c16-9-5-8(12-11(19)13-9)15-14-7-3-1-6(2-4-7)10(17)18/h1-5,14H,(H,17,18)(H3,12,13,15,16,19)

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Potential Energy
Epot(MMFF94)=18.3074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.225 g/mol  logS: -1.84373  SlogP: -0.0179  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.04751e-07  Sterimol/B1: 2.09761  Sterimol/B2: 2.09816  Sterimol/B3: 2.66506
  Sterimol/B4: 5.27466  Sterimol/L: 15.561 
 
 Surface and Volume Properties
  Accessible surface: 453.566  Positive charged surface: 242.372  Negative charged surface: 211.195  Volume: 220.625
  Hydrophobic surface: 166.252  Hydrophilic surface: 287.314
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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


MMs02287411
NCID-ZINC01646791