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MAYBRIDGE-ZINC04325117

 MMsINC code: MMs02167164
Type: Neutral
Formula: C14H15N3O5S2
SMILES:   S(=O)(=O)(NC(=O)Nc1cc(S(=O)(=O)N)ccc1)c1ccc(cc1)C
InChI:   InChI=1/C14H15N3O5S2/c1-10-5-7-12(8-6-10)24(21,22)17-14(18)16-11-3-2-4-13(9-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=-11.8817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.422 g/mol  logS: -4.17567  SlogP: 1.15282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117937  Sterimol/B1: 2.19946  Sterimol/B2: 3.92231  Sterimol/B3: 4.93006
  Sterimol/B4: 8.12948  Sterimol/L: 16.0486 
 
 Surface and Volume Properties
  Accessible surface: 577.09  Positive charged surface: 292.575  Negative charged surface: 284.515  Volume: 298.125
  Hydrophobic surface: 327.894  Hydrophilic surface: 249.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02167165
MAYBRIDGE-ZINC04325117