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ENAMINE-ZINC04166410

 MMsINC code: MMs01532262
Type: Neutral
Formula: C16H21ClN2O5S2
SMILES:   Clc1ccc(S(=O)(=O)N2CCCCC2C(=O)NC2CCS(=O)(=O)C2)cc1
InChI:   InChI=1/C16H21ClN2O5S2/c17-12-4-6-14(7-5-12)26(23,24)19-9-2-1-3-15(19)16(20)18-13-8-10-25(21,22)11-13/h4-7,13,15H,1-3,8-11H2,(H,18,20)/t13-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=72.0186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.938 g/mol  logS: -3.42123  SlogP: 1.1865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147006  Sterimol/B1: 3.61913  Sterimol/B2: 4.69221  Sterimol/B3: 4.82539
  Sterimol/B4: 7.35487  Sterimol/L: 14.1194 
 
 Surface and Volume Properties
  Accessible surface: 596.32  Positive charged surface: 321.067  Negative charged surface: 275.253  Volume: 343.125
  Hydrophobic surface: 461.87  Hydrophilic surface: 134.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.