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CHEMDIV-ZINC03902615

 MMsINC code: MMs00918497
Type: Neutral
Formula: C14H7ClN2O4
SMILES:   Clc1ccc(nc1)N1C(=O)c2c(ccc(c2)C(O)=O)C1=O
InChI:   InChI=1/C14H7ClN2O4/c15-8-2-4-11(16-6-8)17-12(18)9-3-1-7(14(20)21)5-10(9)13(17)19/h1-6H,(H,20,21)

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Potential Energy
Epot(MMFF94)=59.5977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.673 g/mol  logS: -3.5154  SlogP: 2.2338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000246573  Sterimol/B1: 2.13085  Sterimol/B2: 2.21067  Sterimol/B3: 3.17711
  Sterimol/B4: 4.99591  Sterimol/L: 17.1145 
 
 Surface and Volume Properties
  Accessible surface: 476.86  Positive charged surface: 228.007  Negative charged surface: 248.853  Volume: 243.875
  Hydrophobic surface: 293.45  Hydrophilic surface: 183.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00918498
CHEMDIV-ZINC03902615