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ENAMINE-ZINC01467806

 MMsINC code: MMs01241502
Type: Neutral
Formula: C17H23ClN2O4S
SMILES:   Clc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)cc1C
InChI:   InChI=1/C17H23ClN2O4S/c1-12-11-16(13(2)10-14(12)18)25(22,23)20-5-3-4-15(20)17(21)19-6-8-24-9-7-19/h10-11,15H,3-9H2,1-2H3/t15-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.12 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.9 g/mol  logS: -3.26411  SlogP: 1.96874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15239  Sterimol/B1: 1.98403  Sterimol/B2: 4.08986  Sterimol/B3: 4.14972
  Sterimol/B4: 9.5642  Sterimol/L: 13.5112 
 
 Surface and Volume Properties
  Accessible surface: 560.864  Positive charged surface: 356.405  Negative charged surface: 204.459  Volume: 338.875
  Hydrophobic surface: 492.332  Hydrophilic surface: 68.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.