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PUBCHEM-ZINC05974161

 MMsINC code: MMs03469810
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-/m1/s1

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Potential Energy
Epot(MMFF94)=61.1343 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: 0.144571  Sterimol/B1: 3.5787  Sterimol/B2: 5.08738  Sterimol/B3: 5.51053
  Sterimol/B4: 7.60161  Sterimol/L: 16.0153 
 
 Surface and Volume Properties
  Accessible surface: 611.634  Positive charged surface: 296.61  Negative charged surface: 315.025  Volume: 336.125
  Hydrophobic surface: 573.843  Hydrophilic surface: 37.791
 
 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.