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PUBCHEM-ZINC03213695

 MMsINC code: MMs03008155
Type: Neutral
Formula: C25H24ClN3O3S
SMILES:   Clc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)Nc1cc2c3c(n(c2cc1)CC)cccc3
InChI:   InChI=1/C25H24ClN3O3S/c1-2-29-22-8-4-3-7-19(22)20-16-18(10-12-23(20)29)27-25(30)17-9-11-21(26)24(15-17)33(31,32)28-13-5-6-14-28/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,27,30)

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Potential Energy
Epot(MMFF94)=88.6542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.004 g/mol  logS: -6.9129  SlogP: 5.771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0477299  Sterimol/B1: 2.87527  Sterimol/B2: 4.49119  Sterimol/B3: 4.52639
  Sterimol/B4: 7.88426  Sterimol/L: 20.4303 
 
 Surface and Volume Properties
  Accessible surface: 737.629  Positive charged surface: 409.197  Negative charged surface: 316.414  Volume: 432.375
  Hydrophobic surface: 622.991  Hydrophilic surface: 114.638
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.