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PUBCHEM-ZINC05974149

 MMsINC code: MMs03469790
Type: Neutral
Formula: C18H15Cl3N2O
SMILES:   Clc1cc(Cl)ccc1C(OCCn1ccnc1)c1ccc(Cl)cc1
InChI:   InChI=1/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)18(16-6-5-15(20)11-17(16)21)24-10-9-23-8-7-22-12-23/h1-8,11-12,18H,9-10H2/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=58.9389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.69 g/mol  logS: -5.76442  SlogP: 6.0114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151565  Sterimol/B1: 3.56551  Sterimol/B2: 5.10398  Sterimol/B3: 5.47599
  Sterimol/B4: 7.87434  Sterimol/L: 15.7464 
 
 Surface and Volume Properties
  Accessible surface: 614.466  Positive charged surface: 296.691  Negative charged surface: 317.774  Volume: 332.875
  Hydrophobic surface: 576.092  Hydrophilic surface: 38.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.