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ASINEX-ZINC01402686

 MMsINC code: MMs00253478
Type: Ionized
Formula: C11H7ClNO3-
SMILES:   Clc1ccc(cc1)-c1noc(C)c1C(=O)[O-]
InChI:   InChI=1/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.8276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.634 g/mol  logS: -3.70394  SlogP: 1.66692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0438753  Sterimol/B1: 2.54771  Sterimol/B2: 3.33105  Sterimol/B3: 3.49578
  Sterimol/B4: 4.33692  Sterimol/L: 13.671 
 
 Surface and Volume Properties
  Accessible surface: 413.064  Positive charged surface: 152.274  Negative charged surface: 260.79  Volume: 199.625
  Hydrophobic surface: 310.972  Hydrophilic surface: 102.092
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:


MMs00253477
ASINEX-ZINC01402686