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CHEMDIV-ZINC06893521

MMsINC code: MMs01055129

Type: Neutral
Formula: C15H20N2O5S2
SMILES:   S1c2c(NC(=O)C1C)cc(S(=O)(=O)CCC(=O)NCCOC)cc2
InChI:   InChI=1/C15H20N2O5S2/c1-10-15(19)17-12-9-11(3-4-13(12)23-10)24(20,21)8-5-14(18)16-6-7-22-2/h3-4,9-10H,5-8H2,1-2H3,(H,16,18)(H,17,19)/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=53.52 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.466 g/mol  logS: -3.42224  SlogP: 1.0457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0461253  Sterimol/B1: 2.557  Sterimol/B2: 3.13474  Sterimol/B3: 4.82919
  Sterimol/B4: 6.50379  Sterimol/L: 20.2405 
 
 Surface and Volume Properties
  Accessible surface: 630.164  Positive charged surface: 410.952  Negative charged surface: 219.212  Volume: 321.125
  Hydrophobic surface: 404.015  Hydrophilic surface: 226.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: no related molecules available.