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AURORAFEINCHEMIE-ZINC02552257

 MMsINC code: MMs00454569
Type: Neutral
Formula: C10H8ClNO2
SMILES:   ClC=1c2c(NC(=O)C=1OC)cccc2
InChI:   InChI=1/C10H8ClNO2/c1-14-9-8(11)6-4-2-3-5-7(6)12-10(9)13/h2-5H,1H3,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.6389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.632 g/mol  logS: -3.13243  SlogP: 2.1925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255346  Sterimol/B1: 2.41323  Sterimol/B2: 2.96469  Sterimol/B3: 4.24398
  Sterimol/B4: 4.50138  Sterimol/L: 12.0832 
 
 Surface and Volume Properties
  Accessible surface: 376.73  Positive charged surface: 212.837  Negative charged surface: 163.893  Volume: 180
  Hydrophobic surface: 305.665  Hydrophilic surface: 71.065
 
 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.