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ENAMINE-ZINC05628664

 MMsINC code: MMs01628634
Type: Neutral
Formula: C15H13N3O4S2
SMILES:   S(CC(=O)Nc1cc(S(=O)(=O)N)ccc1)c1oc2c(n1)cccc2
InChI:   InChI=1/C15H13N3O4S2/c16-24(20,21)11-5-3-4-10(8-11)17-14(19)9-23-15-18-12-6-1-2-7-13(12)22-15/h1-8H,9H2,(H,17,19)(H2,16,20,21)

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Potential Energy
Epot(MMFF94)=38.7852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.418 g/mol  logS: -5.86107  SlogP: 2.206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0131648  Sterimol/B1: 2.76051  Sterimol/B2: 3.28174  Sterimol/B3: 3.89324
  Sterimol/B4: 4.94213  Sterimol/L: 19.628 
 
 Surface and Volume Properties
  Accessible surface: 598.548  Positive charged surface: 307.445  Negative charged surface: 291.103  Volume: 299.5
  Hydrophobic surface: 339.008  Hydrophilic surface: 259.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01628635
ENAMINE-ZINC05628664