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MAYBRIDGE-ZINC04324586

 MMsINC code: MMs02166702
Type: Neutral
Formula: C23H26FN3O2
SMILES:   Fc1cc2c([nH]cc2CCCN2CCN(CC2)C(=O)c2ccc(OC)cc2)cc1
InChI:   InChI=1/C23H26FN3O2/c1-29-20-7-4-17(5-8-20)23(28)27-13-11-26(12-14-27)10-2-3-18-16-25-22-9-6-19(24)15-21(18)22/h4-9,15-16,25H,2-3,10-14H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.478 g/mol  logS: -4.13815  SlogP: 3.70617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651314  Sterimol/B1: 2.45024  Sterimol/B2: 3.72515  Sterimol/B3: 4.19945
  Sterimol/B4: 8.42866  Sterimol/L: 19.7395 
 
 Surface and Volume Properties
  Accessible surface: 694.359  Positive charged surface: 477.248  Negative charged surface: 212.381  Volume: 384.75
  Hydrophobic surface: 600.981  Hydrophilic surface: 93.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02166703
MAYBRIDGE-ZINC04324586