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CHEMDIV-ZINC04880891

 MMsINC code: MMs00960236
Type: Neutral
Formula: C18H14Cl2N2O4
SMILES:   Clc1ccc(Cl)cc1NC(=O)c1noc(c1)-c1cc(OC)c(OC)cc1
InChI:   InChI=1/C18H14Cl2N2O4/c1-24-15-6-3-10(7-17(15)25-2)16-9-14(22-26-16)18(23)21-13-8-11(19)4-5-12(13)20/h3-9H,1-2H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=116.745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.226 g/mol  logS: -6.11866  SlogP: 4.9179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00853036  Sterimol/B1: 2.82885  Sterimol/B2: 2.89141  Sterimol/B3: 3.34426
  Sterimol/B4: 7.49734  Sterimol/L: 19.488 
 
 Surface and Volume Properties
  Accessible surface: 636.518  Positive charged surface: 334.914  Negative charged surface: 301.604  Volume: 333.125
  Hydrophobic surface: 551.052  Hydrophilic surface: 85.466
 
 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.