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IBS-ZINC00495147

 MMsINC code: MMs01739614
Type: Neutral
Formula: C14H8ClNO4
SMILES:   Clc1cc2OC(=O)N(c2cc1)C(Oc1ccccc1)=O
InChI:   InChI=1/C14H8ClNO4/c15-9-6-7-11-12(8-9)20-14(18)16(11)13(17)19-10-4-2-1-3-5-10/h1-8H

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Potential Energy
Epot(MMFF94)=57.4347 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: 0.0553562  Sterimol/B1: 3.34625  Sterimol/B2: 3.43808  Sterimol/B3: 3.47516
  Sterimol/B4: 5.39492  Sterimol/L: 16.0147 
 
 Surface and Volume Properties
  Accessible surface: 482.034  Positive charged surface: 215.398  Negative charged surface: 266.636  Volume: 239.875
  Hydrophobic surface: 388.921  Hydrophilic surface: 93.113
 
 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.