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ENAMINE-ZINC03225977

 MMsINC code: MMs01316071
Type: Neutral
Formula: C26H28Cl2N2O3S2
SMILES:   Clc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N(Cc1ccc(Cl)cc1)C(Cc1sccc1
)C
InChI:   InChI=1/C26H28Cl2N2O3S2/c1-19(16-23-6-5-15-34-23)30(18-20-7-10-22(27)11-8-20)26(31)21-9-12-24(28)25(17-21)35(32,33)29-13-3-2-4-14-29/h5-12,15,17,19H,2-4,13-14,16,18H2,1H3/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=292.423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 551.559 g/mol  logS: -7.29246  SlogP: 6.76947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127258  Sterimol/B1: 2.68445  Sterimol/B2: 5.89951  Sterimol/B3: 7.4137
  Sterimol/B4: 8.07839  Sterimol/L: 16.671 
 
 Surface and Volume Properties
  Accessible surface: 761.403  Positive charged surface: 375.642  Negative charged surface: 385.761  Volume: 478.875
  Hydrophobic surface: 671.734  Hydrophilic surface: 89.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.