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NCID-ZINC01735317

 MMsINC code: MMs02357399
Type: Ionized
Formula: C12H5ClN3O4-
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)/p-1

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Potential Energy
Epot(MMFF94)=-5.68562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.642 g/mol  logS: -3.80184  SlogP: 0.527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0133667  Sterimol/B1: 2.94714  Sterimol/B2: 2.94924  Sterimol/B3: 4.59375
  Sterimol/B4: 4.67612  Sterimol/L: 13.3885 
 
 Surface and Volume Properties
  Accessible surface: 436.752  Positive charged surface: 167.179  Negative charged surface: 264.038  Volume: 220.875
  Hydrophobic surface: 185.336  Hydrophilic surface: 251.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs02357398
NCID-ZINC01735317