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NCID-ZINC01852046

 MMsINC code: MMs02371699
Type: Ionized
Formula: C10H7ClNO2-
SMILES:   Clc1cc2[nH]cc(c2cc1)CC(=O)[O-]
InChI:   InChI=1/C10H8ClNO2/c11-7-1-2-8-6(3-10(13)14)5-12-9(8)4-7/h1-2,4-5,12H,3H2,(H,13,14)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.7076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.624 g/mol  logS: -2.70039  SlogP: 1.11367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0614961  Sterimol/B1: 2.51514  Sterimol/B2: 2.72987  Sterimol/B3: 3.47787
  Sterimol/B4: 5.94792  Sterimol/L: 12.035 
 
 Surface and Volume Properties
  Accessible surface: 377.849  Positive charged surface: 153.459  Negative charged surface: 220.496  Volume: 180.625
  Hydrophobic surface: 248.977  Hydrophilic surface: 128.872
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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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Parent related molecule:


MMs02371698
NCID-ZINC01852046