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ENAMINE-ZINC06847410

 MMsINC code: MMs01704373
Type: Neutral
Formula: C16H16ClNO4S
SMILES:   Clc1ccccc1S(=O)(=O)NC(Cc1ccccc1)C(OC)=O
InChI:   InChI=1/C16H16ClNO4S/c1-22-16(19)14(11-12-7-3-2-4-8-12)18-23(20,21)15-10-6-5-9-13(15)17/h2-10,14,18H,11H2,1H3/t14-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.1234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.826 g/mol  logS: -4.19469  SlogP: 2.40257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.234286  Sterimol/B1: 3.14622  Sterimol/B2: 4.67255  Sterimol/B3: 4.85043
  Sterimol/B4: 5.71878  Sterimol/L: 12.8427 
 
 Surface and Volume Properties
  Accessible surface: 510.455  Positive charged surface: 298.138  Negative charged surface: 212.316  Volume: 306.25
  Hydrophobic surface: 418.446  Hydrophilic surface: 92.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.