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IBS-ZINC05071437

 MMsINC code: MMs01921189
Type: Neutral
Formula: C19H23Cl2NO3S
SMILES:   ClC(Cl)=CC1C(C)(C)C1C(=O)N(Cc1ccccc1)C1CCS(=O)(=O)C1
InChI:   InChI=1/C19H23Cl2NO3S/c1-19(2)15(10-16(20)21)17(19)18(23)22(11-13-6-4-3-5-7-13)14-8-9-26(24,25)12-14/h3-7,10,14-15,17H,8-9,11-12H2,1-2H3/t14-,15+,17+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.6308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.369 g/mol  logS: -4.9387  SlogP: 4.1688  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.227411  Sterimol/B1: 2.16235  Sterimol/B2: 5.16465  Sterimol/B3: 7.6165
  Sterimol/B4: 7.94341  Sterimol/L: 14.3745 
 
 Surface and Volume Properties
  Accessible surface: 629.743  Positive charged surface: 295.528  Negative charged surface: 334.216  Volume: 367.75
  Hydrophobic surface: 537.671  Hydrophilic surface: 92.072
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.