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CHEMDIV-ZINC06817340

 MMsINC code: MMs01040847
Type: Neutral
Formula: C20H17ClN2O5
SMILES:   Clc1cc(N(C(=O)c2noc-3c2COc2c-3cccc2)C)c(OC)cc1OC
InChI:   InChI=1/C20H17ClN2O5/c1-23(14-8-13(21)16(25-2)9-17(14)26-3)20(24)18-12-10-27-15-7-5-4-6-11(15)19(12)28-22-18/h4-9H,10H2,1-3H3

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Potential Energy
Epot(MMFF94)=154.399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.818 g/mol  logS: -5.45116  SlogP: 4.4476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143172  Sterimol/B1: 2.31936  Sterimol/B2: 5.0725  Sterimol/B3: 5.80661
  Sterimol/B4: 9.25688  Sterimol/L: 15.4329 
 
 Surface and Volume Properties
  Accessible surface: 629.197  Positive charged surface: 425.03  Negative charged surface: 204.167  Volume: 349.625
  Hydrophobic surface: 566.258  Hydrophilic surface: 62.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.