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CHEMDIV-ZINC06825385

 MMsINC code: MMs01044846
Type: Neutral
Formula: C21H15F2N3O
SMILES:   Fc1ccccc1-c1oc(nn1)C(Nc1ccccc1F)c1ccccc1
InChI:   InChI=1/C21H15F2N3O/c22-16-11-5-4-10-15(16)20-25-26-21(27-20)19(14-8-2-1-3-9-14)24-18-13-7-6-12-17(18)23/h1-13,19,24H/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=107.396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.367 g/mol  logS: -7.10595  SlogP: 5.3118  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126344  Sterimol/B1: 2.50961  Sterimol/B2: 3.78601  Sterimol/B3: 4.10916
  Sterimol/B4: 8.79956  Sterimol/L: 17.0033 
 
 Surface and Volume Properties
  Accessible surface: 614.894  Positive charged surface: 308.217  Negative charged surface: 306.678  Volume: 331.5
  Hydrophobic surface: 555.65  Hydrophilic surface: 59.244
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.