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CHEMBRIDGE-ZINC00262405

 MMsINC code: MMs00598760
Type: Neutral
Formula: C14H6ClNO3
SMILES:   Clc1cc(O)c2c3c1noc3-c1c(cccc1)C2=O
InChI:   InChI=1/C14H6ClNO3/c15-8-5-9(17)10-11-12(8)16-19-14(11)7-4-2-1-3-6(7)13(10)18/h1-5,17H

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Potential Energy
Epot(MMFF94)=108.411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.659 g/mol  logS: -5.07274  SlogP: 3.3982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00311496  Sterimol/B1: 2.10825  Sterimol/B2: 2.2367  Sterimol/B3: 4.09416
  Sterimol/B4: 5.10248  Sterimol/L: 13.1601 
 
 Surface and Volume Properties
  Accessible surface: 428.789  Positive charged surface: 185.134  Negative charged surface: 238.12  Volume: 219.75
  Hydrophobic surface: 314.892  Hydrophilic surface: 113.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.