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IBS-ZINC05452341

 MMsINC code: MMs01949093
Type: Neutral
Formula: C17H13Cl2N3O2
SMILES:   Clc1cc(Cl)ccc1NC(=O)c1n[nH]c(c1)-c1cccc(C)c1O
InChI:   InChI=1/C17H13Cl2N3O2/c1-9-3-2-4-11(16(9)23)14-8-15(22-21-14)17(24)20-13-6-5-10(18)7-12(13)19/h2-8,23H,1H3,(H,20,24)(H,21,22)

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Potential Energy
Epot(MMFF94)=85.1431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.216 g/mol  logS: -5.60611  SlogP: 4.64982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0154425  Sterimol/B1: 2.56369  Sterimol/B2: 3.5458  Sterimol/B3: 3.74793
  Sterimol/B4: 5.86471  Sterimol/L: 19.4714 
 
 Surface and Volume Properties
  Accessible surface: 591.784  Positive charged surface: 275.497  Negative charged surface: 316.287  Volume: 311.5
  Hydrophobic surface: 462.58  Hydrophilic surface: 129.204
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.