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ASINEX-ZINC01363703

 MMsINC code: MMs00247690
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-/m1/s1

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Potential Energy
Epot(MMFF94)=67.1131 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: 0.0746373  Sterimol/B1: 4.13855  Sterimol/B2: 4.25981  Sterimol/B3: 4.36512
  Sterimol/B4: 7.5589  Sterimol/L: 17.6582 
 
 Surface and Volume Properties
  Accessible surface: 652.264  Positive charged surface: 290.616  Negative charged surface: 361.648  Volume: 366.5
  Hydrophobic surface: 550.922  Hydrophilic surface: 101.342
 
 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.