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NCID-ZINC01735317

 MMsINC code: MMs02357398
Type: Neutral
Formula: C12H6ClN3O4
SMILES:   Clc1cc2nc3NC(=O)NC(=O)c3c(c2cc1)C(O)=O
InChI:   InChI=1/C12H6ClN3O4/c13-4-1-2-5-6(3-4)14-9-8(7(5)11(18)19)10(17)16-12(20)15-9/h1-3H,(H,18,19)(H2,14,15,16,17,20)

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Potential Energy
Epot(MMFF94)=-2.78831 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.65 g/mol  logS: -3.54139  SlogP: 1.8617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0177025  Sterimol/B1: 2.78548  Sterimol/B2: 2.95053  Sterimol/B3: 4.66147
  Sterimol/B4: 5.16758  Sterimol/L: 13.3957 
 
 Surface and Volume Properties
  Accessible surface: 435.105  Positive charged surface: 195.964  Negative charged surface: 233.605  Volume: 221.875
  Hydrophobic surface: 183.819  Hydrophilic surface: 251.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02357399
NCID-ZINC01735317