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ENAMINE-ZINC06322265

 MMsINC code: MMs01661713
Type: Neutral
Formula: C16H21ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCCCC2)cc1
InChI:   InChI=1/C16H21ClN2O3S/c17-13-6-8-14(9-7-13)23(21,22)19-12-4-5-15(19)16(20)18-10-2-1-3-11-18/h6-9,15H,1-5,10-12H2/t15-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.7302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.874 g/mol  logS: -3.40584  SlogP: 2.5056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14063  Sterimol/B1: 3.85927  Sterimol/B2: 4.37756  Sterimol/B3: 5.05619
  Sterimol/B4: 6.11637  Sterimol/L: 14.9464 
 
 Surface and Volume Properties
  Accessible surface: 556.369  Positive charged surface: 335.076  Negative charged surface: 221.293  Volume: 314
  Hydrophobic surface: 496.952  Hydrophilic surface: 59.417
 
 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: 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.