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CHEMSTAR-ZINC04016698

 MMsINC code: MMs01087636
Type: Neutral
Formula: C14H9ClN2O5
SMILES:   Clc1cc([N+](=O)[O-])c(NC(=O)c2ccccc2C(O)=O)cc1
InChI:   InChI=1/C14H9ClN2O5/c15-8-5-6-11(12(7-8)17(21)22)16-13(18)9-3-1-2-4-10(9)14(19)20/h1-7H,(H,16,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=89.2918 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.688 g/mol  logS: -4.84879  SlogP: 3.1987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151487  Sterimol/B1: 2.49669  Sterimol/B2: 3.65511  Sterimol/B3: 5.44762
  Sterimol/B4: 7.11495  Sterimol/L: 15.3168 
 
 Surface and Volume Properties
  Accessible surface: 498.629  Positive charged surface: 208.595  Negative charged surface: 290.034  Volume: 258.125
  Hydrophobic surface: 326.86  Hydrophilic surface: 171.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs01087637
CHEMSTAR-ZINC04016698