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CHEMBLOCK-ZINC00054157

 MMsINC code: MMs00490542
Type: Neutral
Formula: C14H8ClNO4
SMILES:   Clc1cc2N(C(Oc3ccccc3)=O)C(Oc2cc1)=O
InChI:   InChI=1/C14H8ClNO4/c15-9-6-7-12-11(8-9)16(14(18)20-12)13(17)19-10-4-2-1-3-5-10/h1-8H

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Potential Energy
Epot(MMFF94)=57.1134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.674 g/mol  logS: -4.98712  SlogP: 3.8578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0568371  Sterimol/B1: 3.37179  Sterimol/B2: 3.43601  Sterimol/B3: 4.64638
  Sterimol/B4: 5.42773  Sterimol/L: 14.8314 
 
 Surface and Volume Properties
  Accessible surface: 482.958  Positive charged surface: 217.236  Negative charged surface: 265.722  Volume: 238.625
  Hydrophobic surface: 389.844  Hydrophilic surface: 93.114
 
 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.