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MAYBRIDGE-ZINC01043420

 MMsINC code: MMs02155171
Type: Neutral
Formula: C20H17ClN2O4
SMILES:   Clc1ccc(Oc2ncccc2NC(=O)c2cc(OC)c(OC)cc2)cc1
InChI:   InChI=1/C20H17ClN2O4/c1-25-17-10-5-13(12-18(17)26-2)19(24)23-16-4-3-11-22-20(16)27-15-8-6-14(21)7-9-15/h3-12H,1-2H3,(H,23,24)

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Potential Energy
Epot(MMFF94)=129.045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.819 g/mol  logS: -5.02575  SlogP: 4.7968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425192  Sterimol/B1: 1.97276  Sterimol/B2: 2.74792  Sterimol/B3: 4.25034
  Sterimol/B4: 9.37599  Sterimol/L: 18.4287 
 
 Surface and Volume Properties
  Accessible surface: 656.798  Positive charged surface: 414.891  Negative charged surface: 241.907  Volume: 346.875
  Hydrophobic surface: 595.517  Hydrophilic surface: 61.281
 
 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.