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AURORAFEINCHEMIE-ZINC06666455

 MMsINC code: MMs00478825
Type: Neutral
Formula: C15H9Cl2NO3
SMILES:   Clc1c2c(NC(=O)C=3C4=C(CCC4)C(OC2=3)=O)c(Cl)cc1
InChI:   InChI=1/C15H9Cl2NO3/c16-8-4-5-9(17)12-11(8)13-10(14(19)18-12)6-2-1-3-7(6)15(20)21-13/h4-5H,1-3H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=77.5799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.147 g/mol  logS: -5.90248  SlogP: 3.6939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174471  Sterimol/B1: 2.64303  Sterimol/B2: 2.83096  Sterimol/B3: 3.88492
  Sterimol/B4: 6.03249  Sterimol/L: 13.7236 
 
 Surface and Volume Properties
  Accessible surface: 469.934  Positive charged surface: 232.24  Negative charged surface: 237.694  Volume: 257.125
  Hydrophobic surface: 372.946  Hydrophilic surface: 96.988
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.