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ENAMINE-ZINC06944918

 MMsINC code: MMs01715781
Type: Neutral
Formula: C15H21N3O4S2
SMILES:   S1CCN=C1NC(=O)c1cc(S(=O)(=O)N(CC)CC)c(OC)cc1
InChI:   InChI=1/C15H21N3O4S2/c1-4-18(5-2)24(20,21)13-10-11(6-7-12(13)22-3)14(19)17-15-16-8-9-23-15/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.2316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.482 g/mol  logS: -3.82813  SlogP: 1.5583  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0488535  Sterimol/B1: 2.30595  Sterimol/B2: 4.80706  Sterimol/B3: 5.62522
  Sterimol/B4: 6.31277  Sterimol/L: 16.386 
 
 Surface and Volume Properties
  Accessible surface: 583.716  Positive charged surface: 388.537  Negative charged surface: 195.18  Volume: 330
  Hydrophobic surface: 388.124  Hydrophilic surface: 195.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.