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AURORAFEINCHEMIE-ZINC02398066

 MMsINC code: MMs00453054
Type: Neutral
Formula: C17H19N3O5S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)NC(Cc2ccccc2)C(OC)=O)cc1
InChI:   InChI=1/C17H19N3O5S/c1-25-16(21)15(11-12-5-3-2-4-6-12)20-17(22)19-13-7-9-14(10-8-13)26(18,23)24/h2-10,15H,11H2,1H3,(H2,18,23,24)(H2,19,20,22)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.4184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.421 g/mol  logS: -3.89234  SlogP: 1.23977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722134  Sterimol/B1: 1.969  Sterimol/B2: 3.57538  Sterimol/B3: 3.84618
  Sterimol/B4: 10.9875  Sterimol/L: 15.8411 
 
 Surface and Volume Properties
  Accessible surface: 640.01  Positive charged surface: 377.414  Negative charged surface: 262.597  Volume: 333.75
  Hydrophobic surface: 433.194  Hydrophilic surface: 206.816
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00453055
AURORAFEINCHEMIE-ZINC02398066