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ASINEX-ZINC01363698

 MMsINC code: MMs00247688
Type: Neutral
Formula: C19H17Cl2N3O3S
SMILES:   Clc1ccc(cc1)-c1nc(on1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChI:   InChI=1/C19H17Cl2N3O3S/c20-15-5-3-13(4-6-15)18-22-19(27-23-18)14-2-1-11-24(12-14)28(25,26)17-9-7-16(21)8-10-17/h3-10,14H,1-2,11-12H2/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=68.2455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.335 g/mol  logS: -6.82218  SlogP: 4.6117  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606761  Sterimol/B1: 2.47018  Sterimol/B2: 4.66833  Sterimol/B3: 5.34123
  Sterimol/B4: 6.58589  Sterimol/L: 20.3052 
 
 Surface and Volume Properties
  Accessible surface: 663.331  Positive charged surface: 295.288  Negative charged surface: 368.043  Volume: 367.625
  Hydrophobic surface: 565.456  Hydrophilic surface: 97.875
 
 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.