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CHEMBLOCK-ZINC04653524

 MMsINC code: MMs00567803
Type: Neutral
Formula: C13H8ClNO2
SMILES:   Clc1cc2c(noc2-c2ccccc2O)cc1
InChI:   InChI=1/C13H8ClNO2/c14-8-5-6-11-10(7-8)13(17-15-11)9-3-1-2-4-12(9)16/h1-7,16H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.5315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.665 g/mol  logS: -4.64543  SlogP: 3.8538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.058777  Sterimol/B1: 2.34568  Sterimol/B2: 3.36282  Sterimol/B3: 3.87128
  Sterimol/B4: 5.64818  Sterimol/L: 12.8437 
 
 Surface and Volume Properties
  Accessible surface: 426.255  Positive charged surface: 184.557  Negative charged surface: 236.657  Volume: 213.875
  Hydrophobic surface: 345.51  Hydrophilic surface: 80.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.