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ASINEX-ZINC00509496

 MMsINC code: MMs00137635
Type: Neutral
Formula: C14H10ClNO2
SMILES:   Clc1cc2nc(oc2cc1)-c1cc(OC)ccc1
InChI:   InChI=1/C14H10ClNO2/c1-17-11-4-2-3-9(7-11)14-16-12-8-10(15)5-6-13(12)18-14/h2-8H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.692 g/mol  logS: -5.48522  SlogP: 4.1568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00379894  Sterimol/B1: 2.37458  Sterimol/B2: 2.37552  Sterimol/B3: 2.98835
  Sterimol/B4: 5.63243  Sterimol/L: 16.1692 
 
 Surface and Volume Properties
  Accessible surface: 473.911  Positive charged surface: 257.375  Negative charged surface: 216.535  Volume: 235.75
  Hydrophobic surface: 424.675  Hydrophilic surface: 49.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.