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ASINEX-ZINC00068478

 MMsINC code: MMs00068527
Type: Neutral
Formula: C17H15Cl2NO2
SMILES:   Clc1cc(Cl)ccc1C(=O)NCC1OCCc2c1cccc2
InChI:   InChI=1/C17H15Cl2NO2/c18-12-5-6-14(15(19)9-12)17(21)20-10-16-13-4-2-1-3-11(13)7-8-22-16/h1-6,9,16H,7-8,10H2,(H,20,21)/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=80.8717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.218 g/mol  logS: -5.094  SlogP: 4.13267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0319099  Sterimol/B1: 2.72155  Sterimol/B2: 3.45382  Sterimol/B3: 3.47887
  Sterimol/B4: 6.25611  Sterimol/L: 17.4273 
 
 Surface and Volume Properties
  Accessible surface: 559.711  Positive charged surface: 276.906  Negative charged surface: 282.805  Volume: 298
  Hydrophobic surface: 521.244  Hydrophilic surface: 38.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.