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CHEMDIV-ZINC00106292

 MMsINC code: MMs00833017
Type: Neutral
Formula: C16H10ClNO2
SMILES:   Clc1c2nc(cc(c2ccc1)C(O)=O)-c1ccccc1
InChI:   InChI=1/C16H10ClNO2/c17-13-8-4-7-11-12(16(19)20)9-14(18-15(11)13)10-5-2-1-3-6-10/h1-9H,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.5895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.714 g/mol  logS: -5.07229  SlogP: 4.2534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000106543  Sterimol/B1: 2.1046  Sterimol/B2: 2.10924  Sterimol/B3: 5.54276
  Sterimol/B4: 6.29947  Sterimol/L: 14.1975 
 
 Surface and Volume Properties
  Accessible surface: 483.504  Positive charged surface: 214.729  Negative charged surface: 257.704  Volume: 253.125
  Hydrophobic surface: 375.613  Hydrophilic surface: 107.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00833018
CHEMDIV-ZINC00106292