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CHEMDIV-ZINC04881206

 MMsINC code: MMs00960329
Type: Neutral
Formula: C18H15ClN2O5
SMILES:   Clc1cc(OC)c(NC(=O)c2noc(c2)-c2ccccc2O)cc1OC
InChI:   InChI=1/C18H15ClN2O5/c1-24-16-8-12(17(25-2)7-11(16)19)20-18(23)13-9-15(26-21-13)10-5-3-4-6-14(10)22/h3-9,22H,1-2H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=121.828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.78 g/mol  logS: -5.02242  SlogP: 3.9701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0112194  Sterimol/B1: 2.50819  Sterimol/B2: 2.51135  Sterimol/B3: 2.7583
  Sterimol/B4: 9.68199  Sterimol/L: 18.9499 
 
 Surface and Volume Properties
  Accessible surface: 621.28  Positive charged surface: 376.443  Negative charged surface: 244.836  Volume: 324.875
  Hydrophobic surface: 496.249  Hydrophilic surface: 125.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.