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CHEMDIV-ZINC02688466

 MMsINC code: MMs00884144
Type: Neutral
Formula: C24H18FN3O
SMILES:   Fc1ccc(cc1)C1=NN=C2C1=CN(c1c2cccc1)Cc1ccccc1OC
InChI:   InChI=1/C24H18FN3O/c1-29-22-9-5-2-6-17(22)14-28-15-20-23(16-10-12-18(25)13-11-16)26-27-24(20)19-7-3-4-8-21(19)28/h2-13,15H,14H2,1H3

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Potential Energy
Epot(MMFF94)=167.66 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.426 g/mol  logS: -6.71101  SlogP: 5.2118  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0741312  Sterimol/B1: 2.49795  Sterimol/B2: 3.06664  Sterimol/B3: 4.09958
  Sterimol/B4: 9.40574  Sterimol/L: 14.9001 
 
 Surface and Volume Properties
  Accessible surface: 590.985  Positive charged surface: 327.581  Negative charged surface: 263.404  Volume: 361.625
  Hydrophobic surface: 525.089  Hydrophilic surface: 65.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.