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CHEMDIV-ZINC06901273

 MMsINC code: MMs01059192
Type: Neutral
Formula: C24H23FN2O2S
SMILES:   s1cccc1CCNCc1c2c(n(Cc3ccccc3F)c1C(O)=O)cc(cc2)C
InChI:   InChI=1/C24H23FN2O2S/c1-16-8-9-19-20(14-26-11-10-18-6-4-12-30-18)23(24(28)29)27(22(19)13-16)15-17-5-2-3-7-21(17)25/h2-9,12-13,26H,10-11,14-15H2,1H3,(H,28,29)

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Potential Energy
Epot(MMFF94)=67.4708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.524 g/mol  logS: -5.60445  SlogP: 5.76189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475751  Sterimol/B1: 2.40855  Sterimol/B2: 3.30205  Sterimol/B3: 3.97373
  Sterimol/B4: 10.3152  Sterimol/L: 18.8109 
 
 Surface and Volume Properties
  Accessible surface: 693.882  Positive charged surface: 397.885  Negative charged surface: 292.072  Volume: 398.75
  Hydrophobic surface: 596.827  Hydrophilic surface: 97.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.