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CHEMDIV-ZINC02915263

 MMsINC code: MMs00890265
Type: Neutral
Formula: C23H18FN3O
SMILES:   Fc1cc(ccc1)C1n2c3c(nc2NC(=C1)c1cc(OC)ccc1)cccc3
InChI:   InChI=1/C23H18FN3O/c1-28-18-9-5-6-15(13-18)20-14-22(16-7-4-8-17(24)12-16)27-21-11-3-2-10-19(21)25-23(27)26-20/h2-14,22H,1H3,(H,25,26)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.0369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.415 g/mol  logS: -6.69816  SlogP: 5.3355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0854331  Sterimol/B1: 4.11425  Sterimol/B2: 4.15775  Sterimol/B3: 4.78462
  Sterimol/B4: 7.07554  Sterimol/L: 16.6692 
 
 Surface and Volume Properties
  Accessible surface: 616.407  Positive charged surface: 357.914  Negative charged surface: 258.493  Volume: 350.875
  Hydrophobic surface: 549.182  Hydrophilic surface: 67.225
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.