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MAYBRIDGE-ZINC01045193

 MMsINC code: MMs02155928
Type: Neutral
Formula: C18H9Cl3N2O3
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C=1OC(=O)c2c(N=1)cc(Cl)cc2
InChI:   InChI=1/C18H9Cl3N2O3/c1-8-14(16(23-26-8)15-11(20)3-2-4-12(15)21)17-22-13-7-9(19)5-6-10(13)18(24)25-17/h2-7H,1H3

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Potential Energy
Epot(MMFF94)=85.8533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.64 g/mol  logS: -8.07295  SlogP: 5.85892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202859  Sterimol/B1: 2.26422  Sterimol/B2: 4.06997  Sterimol/B3: 5.01603
  Sterimol/B4: 9.39005  Sterimol/L: 12.8542 
 
 Surface and Volume Properties
  Accessible surface: 584.219  Positive charged surface: 204.55  Negative charged surface: 379.669  Volume: 323.875
  Hydrophobic surface: 514.471  Hydrophilic surface: 69.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.