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CHEMDIV-ZINC03008171

 MMsINC code: MMs00901373
Type: Neutral
Formula: C23H23FN4O3S2
SMILES:   S1Cc2c(nn(-c3ccc(F)cc3)c2NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C
1
InChI:   InChI=1/C23H23FN4O3S2/c24-17-6-8-18(9-7-17)28-22(20-14-32-15-21(20)26-28)25-23(29)16-4-10-19(11-5-16)33(30,31)27-12-2-1-3-13-27/h4-11H,1-3,12-15H2,(H,25,29)

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Potential Energy
Epot(MMFF94)=129.086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.592 g/mol  logS: -6.02349  SlogP: 4.7179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0528502  Sterimol/B1: 3.76367  Sterimol/B2: 3.92823  Sterimol/B3: 4.16645
  Sterimol/B4: 9.70051  Sterimol/L: 18.8134 
 
 Surface and Volume Properties
  Accessible surface: 721.183  Positive charged surface: 410.548  Negative charged surface: 310.636  Volume: 419.5
  Hydrophobic surface: 567.395  Hydrophilic surface: 153.788
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.