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ASINEX-ZINC00900796

 MMsINC code: MMs00212527
Type: Neutral
Formula: C23H24F2N4O
SMILES:   FC(F)C1n2ncc(c2NC(C1)c1ccc(cc1)C)C(=O)NCCc1ccccc1
InChI:   InChI=1/C23H24F2N4O/c1-15-7-9-17(10-8-15)19-13-20(21(24)25)29-22(28-19)18(14-27-29)23(30)26-12-11-16-5-3-2-4-6-16/h2-10,14,19-21,28H,11-13H2,1H3,(H,26,30)/t19-,20+/m0/s1

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Potential Energy
Epot(MMFF94)=126.535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.468 g/mol  logS: -4.91869  SlogP: 5.13799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0484091  Sterimol/B1: 2.15612  Sterimol/B2: 3.35659  Sterimol/B3: 4.02456
  Sterimol/B4: 11.1654  Sterimol/L: 18.8154 
 
 Surface and Volume Properties
  Accessible surface: 704.703  Positive charged surface: 415.868  Negative charged surface: 288.835  Volume: 386.875
  Hydrophobic surface: 576.826  Hydrophilic surface: 127.877
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.