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ASINEX-ZINC00806191

 MMsINC code: MMs00172666
Type: Neutral
Formula: C18H20ClN3O3S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nccc(c1)C
InChI:   InChI=1/C18H20ClN3O3S/c1-13-7-8-20-17(11-13)21-18(23)15-12-14(5-6-16(15)19)26(24,25)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21,23)

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Potential Energy
Epot(MMFF94)=59.5957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.895 g/mol  logS: -4.28391  SlogP: 3.47032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0434497  Sterimol/B1: 2.26698  Sterimol/B2: 3.77886  Sterimol/B3: 3.80924
  Sterimol/B4: 9.50718  Sterimol/L: 16.8414 
 
 Surface and Volume Properties
  Accessible surface: 628.593  Positive charged surface: 379.739  Negative charged surface: 248.854  Volume: 346.875
  Hydrophobic surface: 530.357  Hydrophilic surface: 98.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.