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CHEMDIV-ZINC03908127

 MMsINC code: MMs00919988
Type: Neutral
Formula: C18H15ClN2O4
SMILES:   Clc1cc(NC(=O)c2noc(c2)-c2cc(OC)c(OC)cc2)ccc1
InChI:   InChI=1/C18H15ClN2O4/c1-23-15-7-6-11(8-17(15)24-2)16-10-14(21-25-16)18(22)20-13-5-3-4-12(19)9-13/h3-10H,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=109.452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.781 g/mol  logS: -5.38437  SlogP: 4.2645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.011063  Sterimol/B1: 2.47528  Sterimol/B2: 2.62149  Sterimol/B3: 3.66415
  Sterimol/B4: 7.49442  Sterimol/L: 19.482 
 
 Surface and Volume Properties
  Accessible surface: 612.891  Positive charged surface: 355.969  Negative charged surface: 256.922  Volume: 317.25
  Hydrophobic surface: 518.809  Hydrophilic surface: 94.082
 
 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.