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APOLLO-ZINC02157732

 MMsINC code: MMs00050742
Type: Neutral
Formula: C15H9Cl5N2O2
SMILES:   Clc1cc(Cl)ccc1Oc1ccccc1NC(=O)NC(Cl)=C(Cl)Cl
InChI:   InChI=1/C15H9Cl5N2O2/c16-8-5-6-11(9(17)7-8)24-12-4-2-1-3-10(12)21-15(23)22-14(20)13(18)19/h1-7H,(H2,21,22,23)

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Potential Energy
Epot(MMFF94)=84.0875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.514 g/mol  logS: -7.72416  SlogP: 6.968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180428  Sterimol/B1: 2.429  Sterimol/B2: 3.73949  Sterimol/B3: 5.1514
  Sterimol/B4: 10.3955  Sterimol/L: 13.6257 
 
 Surface and Volume Properties
  Accessible surface: 608.876  Positive charged surface: 182.64  Negative charged surface: 426.236  Volume: 323.625
  Hydrophobic surface: 555.409  Hydrophilic surface: 53.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.