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ASINEX-ZINC00839315

 MMsINC code: MMs00187446
Type: Neutral
Formula: C16H13Cl2NO4
SMILES:   Clc1ccc(Cl)cc1OCC(=O)Nc1cc2OCCOc2cc1
InChI:   InChI=1/C16H13Cl2NO4/c17-10-1-3-12(18)14(7-10)23-9-16(20)19-11-2-4-13-15(8-11)22-6-5-21-13/h1-4,7-8H,5-6,9H2,(H,19,20)

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Potential Energy
Epot(MMFF94)=97.7766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.189 g/mol  logS: -5.14987  SlogP: 3.7821  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0177676  Sterimol/B1: 2.11676  Sterimol/B2: 3.89964  Sterimol/B3: 3.97564
  Sterimol/B4: 5.87553  Sterimol/L: 18.584 
 
 Surface and Volume Properties
  Accessible surface: 578.085  Positive charged surface: 309.458  Negative charged surface: 268.626  Volume: 294.875
  Hydrophobic surface: 508.95  Hydrophilic surface: 69.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.