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PUBCHEM-ZINC04382200

 MMsINC code: MMs03118176
Type: Neutral
Formula: C23H26FN3O
SMILES:   Fc1ccccc1C(CC(=O)NC1CCCCC1)c1n2c(nc1)C=CC=C2C
InChI:   InChI=1/C23H26FN3O/c1-16-8-7-13-22-25-15-21(27(16)22)19(18-11-5-6-12-20(18)24)14-23(28)26-17-9-3-2-4-10-17/h5-8,11-13,15,17,19H,2-4,9-10,14H2,1H3,(H,26,28)/t19-/m1/s1

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Potential Energy
Epot(MMFF94)=74.4385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.479 g/mol  logS: -4.5729  SlogP: 4.8807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119921  Sterimol/B1: 2.45682  Sterimol/B2: 3.90335  Sterimol/B3: 6.55771
  Sterimol/B4: 7.02769  Sterimol/L: 17.7652 
 
 Surface and Volume Properties
  Accessible surface: 632.872  Positive charged surface: 411.038  Negative charged surface: 221.835  Volume: 373
  Hydrophobic surface: 582.563  Hydrophilic surface: 50.309
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.