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ENAMINE-ZINC02635555

MMsINC code: MMs01265332

Type: Neutral
Formula: C16H19N3O5S2
SMILES:   S(=O)(=O)(N(C)C)c1ccc(NC(=O)c2cc(S(=O)(=O)NC)ccc2)cc1
InChI:   InChI=1/C16H19N3O5S2/c1-17-25(21,22)15-6-4-5-12(11-15)16(20)18-13-7-9-14(10-8-13)26(23,24)19(2)3/h4-11,17H,1-3H3,(H,18,20)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=46.1708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.476 g/mol  logS: -3.10641  SlogP: 1.0973  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0360051  Sterimol/B1: 2.13177  Sterimol/B2: 2.61948  Sterimol/B3: 4.50439
  Sterimol/B4: 7.41716  Sterimol/L: 18.6408 
 
 Surface and Volume Properties
  Accessible surface: 632.295  Positive charged surface: 388.573  Negative charged surface: 243.723  Volume: 338.625
  Hydrophobic surface: 447.828  Hydrophilic surface: 184.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.