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CHEMDIV-ZINC00223936

 MMsINC code: MMs00844179
Type: Neutral
Formula: C20H16FN3O2
SMILES:   Fc1cc(-n2c3c(nc2C)cc(cc3)C(=O)NCc2occc2)ccc1
InChI:   InChI=1/C20H16FN3O2/c1-13-23-18-10-14(20(25)22-12-17-6-3-9-26-17)7-8-19(18)24(13)16-5-2-4-15(21)11-16/h2-11H,12H2,1H3,(H,22,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.9111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.365 g/mol  logS: -5.47532  SlogP: 4.26242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0406213  Sterimol/B1: 2.5521  Sterimol/B2: 3.38551  Sterimol/B3: 3.66826
  Sterimol/B4: 7.48955  Sterimol/L: 16.4968 
 
 Surface and Volume Properties
  Accessible surface: 613.071  Positive charged surface: 316.195  Negative charged surface: 296.876  Volume: 323.125
  Hydrophobic surface: 525.447  Hydrophilic surface: 87.624
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.