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CHEMDIV-ZINC02688832

 MMsINC code: MMs00884173
Type: Neutral
Formula: C24H18FN3O
SMILES:   Fc1ccc(cc1)C1=NN=C2C1=CN(c1c2cc(OC)cc1)Cc1ccccc1
InChI:   InChI=1/C24H18FN3O/c1-29-19-11-12-22-20(13-19)24-21(15-28(22)14-16-5-3-2-4-6-16)23(26-27-24)17-7-9-18(25)10-8-17/h2-13,15H,14H2,1H3

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Potential Energy
Epot(MMFF94)=168.383 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: 0.0650395  Sterimol/B1: 2.4501  Sterimol/B2: 3.51021  Sterimol/B3: 3.86523
  Sterimol/B4: 9.42993  Sterimol/L: 17.3027 
 
 Surface and Volume Properties
  Accessible surface: 635.25  Positive charged surface: 355.706  Negative charged surface: 279.544  Volume: 360.25
  Hydrophobic surface: 557.831  Hydrophilic surface: 77.419
 
 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.