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ASINEX-ZINC00434887

 MMsINC code: MMs00134756
Type: Neutral
Formula: C14H10ClNO2
SMILES:   Clc1cc2nc(oc2cc1)-c1ccc(OC)cc1
InChI:   InChI=1/C14H10ClNO2/c1-17-11-5-2-9(3-6-11)14-16-12-8-10(15)4-7-13(12)18-14/h2-8H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.4398 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: 0.00365302  Sterimol/B1: 2.37439  Sterimol/B2: 2.37473  Sterimol/B3: 3.45397
  Sterimol/B4: 4.71105  Sterimol/L: 16.7421 
 
 Surface and Volume Properties
  Accessible surface: 478.75  Positive charged surface: 262.391  Negative charged surface: 216.358  Volume: 235
  Hydrophobic surface: 429.779  Hydrophilic surface: 48.971
 
 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.