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IBS-ZINC00188702

 MMsINC code: MMs01731799
Type: Ionized
Formula: C11H4Cl2NO5-
SMILES:   Clc1cc([N+](=O)[O-])cc(Cl)c1-c1oc(cc1)C(=O)[O-]
InChI:   InChI=1/C11H5Cl2NO5/c12-6-3-5(14(17)18)4-7(13)10(6)8-1-2-9(19-8)11(15)16/h1-4H,(H,15,16)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.3832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.061 g/mol  logS: -6.02029  SlogP: 2.5251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819116  Sterimol/B1: 2.30886  Sterimol/B2: 3.83876  Sterimol/B3: 5.07271
  Sterimol/B4: 5.38065  Sterimol/L: 14.2389 
 
 Surface and Volume Properties
  Accessible surface: 454.785  Positive charged surface: 118.169  Negative charged surface: 336.616  Volume: 222
  Hydrophobic surface: 271.275  Hydrophilic surface: 183.51
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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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MMs01731798
IBS-ZINC00188702