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CHEMDIV-ZINC04572036

 MMsINC code: MMs00938144
Type: Neutral
Formula: C23H25FN4O
SMILES:   Fc1ccccc1C(=O)Nc1cc2c(nc(N3CCN(CC3)CC)cc2C)cc1
InChI:   InChI=1/C23H25FN4O/c1-3-27-10-12-28(13-11-27)22-14-16(2)19-15-17(8-9-21(19)26-22)25-23(29)18-6-4-5-7-20(18)24/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=152.941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.478 g/mol  logS: -5.32492  SlogP: 4.07652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0232968  Sterimol/B1: 2.44857  Sterimol/B2: 4.28595  Sterimol/B3: 4.64713
  Sterimol/B4: 5.04747  Sterimol/L: 22.2884 
 
 Surface and Volume Properties
  Accessible surface: 674.339  Positive charged surface: 450.779  Negative charged surface: 219.259  Volume: 380.25
  Hydrophobic surface: 588.089  Hydrophilic surface: 86.25
 
 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


MMs00938145
CHEMDIV-ZINC04572036