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CHEMDIV-ZINC02938260

 MMsINC code: MMs00894253
Type: Neutral
Formula: C19H23ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCCOC)cc1
InChI:   InChI=1/C19H23ClN2O4S/c1-26-13-5-12-21-19(23)18(14-15-6-3-2-4-7-15)22-27(24,25)17-10-8-16(20)9-11-17/h2-4,6-11,18,22H,5,12-14H2,1H3,(H,21,23)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.0383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.922 g/mol  logS: -4.3035  SlogP: 2.38227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117981  Sterimol/B1: 3.82286  Sterimol/B2: 4.89466  Sterimol/B3: 4.95491
  Sterimol/B4: 7.98679  Sterimol/L: 17.0239 
 
 Surface and Volume Properties
  Accessible surface: 667.934  Positive charged surface: 403.934  Negative charged surface: 264  Volume: 370.25
  Hydrophobic surface: 575.645  Hydrophilic surface: 92.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.