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ASINEX-ZINC04906290

 MMsINC code: MMs00401388
Type: Neutral
Formula: C23H18ClFN2O2
SMILES:   Clc1cc2C3N(N=C(C3)c3ccc(F)cc3)C(Oc2cc1)c1ccccc1OC
InChI:   InChI=1/C23H18ClFN2O2/c1-28-21-5-3-2-4-17(21)23-27-20(18-12-15(24)8-11-22(18)29-23)13-19(26-27)14-6-9-16(25)10-7-14/h2-12,20,23H,13H2,1H3/t20-,23+/m0/s1

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Potential Energy
Epot(MMFF94)=126.454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.86 g/mol  logS: -6.28359  SlogP: 5.921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129372  Sterimol/B1: 2.42269  Sterimol/B2: 3.03088  Sterimol/B3: 5.02983
  Sterimol/B4: 10.8816  Sterimol/L: 16.2175 
 
 Surface and Volume Properties
  Accessible surface: 631.686  Positive charged surface: 341.395  Negative charged surface: 290.292  Volume: 368.5
  Hydrophobic surface: 611.546  Hydrophilic surface: 20.14
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.