Molecular Properties | |
SMILES: | O=S(=O)(O)Cn1ccn(CS(=O)(=O)O)c1=[Au+]Cl |
MW: | 487.92 |
Fraction sp3: | 0.4 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 118.6 |
cLogP: | -0.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
contains_metal
gte_2_sulfonic_acid
halogen_heteroatom
Sulfonic acid
Halogen-bonded heteroatoms
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
S/PO3 groups
unacceptable atoms
Sulfonic acid
sulphates
Undesirable_Elements_Salts
MAR-TRE-d3c2bf0e-36
0.488
MAR-TRE-d3c2bf0e-37
0.421
MAR-TRE-d3c2bf0e-52
0.378
MAR-TRE-d3c2bf0e-65
0.372
MAR-TRE-d3c2bf0e-76
0.366
MAR-TRE-d3c2bf0e-72
0.359
MAR-TRE-d3c2bf0e-59
0.340
MAR-TRE-d3c2bf0e-73
0.340
MAR-TRE-d3c2bf0e-82
0.326
MAR-TRE-4f39ef4a-72
0.321
MAR-TRE-d3c2bf0e-42
0.320
MAR-TRE-d3c2bf0e-79
0.320
MAR-TRE-d3c2bf0e-78
0.316
MAR-TRE-d3c2bf0e-1
0.314
MAR-TRE-d3c2bf0e-29
0.308
MAR-TRE-d3c2bf0e-3
0.308
MAR-TRE-d3c2bf0e-75
0.306
MAR-TRE-d3c2bf0e-13
0.300
MAR-TRE-d3c2bf0e-58
0.295
MAR-TRE-d3c2bf0e-67
0.295
MAR-TRE-d3c2bf0e-18
0.293
MAR-TRE-d3c2bf0e-41
0.292
MAR-TRE-d3c2bf0e-81
0.289
MAR-TRE-d3c2bf0e-44
0.289
MAR-TRE-d3c2bf0e-62
0.288
MAR-TRE-4f39ef4a-56
0.288
MAR-TRE-d3c2bf0e-47
0.286
MAR-TRE-d3c2bf0e-23
0.286
MAR-TRE-d3c2bf0e-2
0.286
MAR-TRE-d3c2bf0e-70
0.286
MAR-TRE-d3c2bf0e-45
0.286
MAR-TRE-d3c2bf0e-17
0.283
MAR-TRE-d3c2bf0e-14
0.283
MAR-TRE-d3c2bf0e-22
0.283
MAR-TRE-d3c2bf0e-16
0.281
MAR-TRE-d3c2bf0e-31
0.280
MAR-TRE-d3c2bf0e-57
0.280
MAR-TRE-d3c2bf0e-21
0.280
MAR-TRE-d3c2bf0e-38
0.279
MAR-TRE-d3c2bf0e-48
0.279
MAR-TRE-d3c2bf0e-43
0.277
MAR-TRE-d3c2bf0e-26
0.277
MAR-TRE-d3c2bf0e-77
0.277
MAR-TRE-d3c2bf0e-55
0.275
MAR-TRE-d3c2bf0e-25
0.273
MAR-TRE-d3c2bf0e-7
0.273
MAR-TRE-d3c2bf0e-15
0.271
MAR-TRE-d3c2bf0e-34
0.269
MAR-TRE-d3c2bf0e-10
0.268
MAR-TRE-d3c2bf0e-9
0.267
MAR-TRE-d3c2bf0e-80
0.265
MAR-TRE-d3c2bf0e-46
0.265
MAR-TRE-d3c2bf0e-28
0.265
MAR-TRE-d3c2bf0e-64
0.264
MAR-TRE-d3c2bf0e-27
0.263
MAR-TRE-d3c2bf0e-66
0.263
MAR-TRE-4f39ef4a-6
0.262
MAR-TRE-d3c2bf0e-49
0.261
MAR-TRE-d3c2bf0e-74
0.260
MAR-TRE-d3c2bf0e-24
0.259
MAR-TRE-4f39ef4a-12
0.259
MAR-TRE-4f39ef4a-86
0.259
MAR-TRE-4f39ef4a-88
0.259
MAR-TRE-d3c2bf0e-54
0.259
MAR-TRE-d3c2bf0e-40
0.255
MAR-TRE-d3c2bf0e-71
0.255
MAR-TRE-d3c2bf0e-60
0.255
MAR-TRE-d3c2bf0e-8
0.255
MAR-TRE-d3c2bf0e-69
0.255
MAR-TRE-4f39ef4a-62
0.254
MAR-TRE-4f39ef4a-23
0.254
MAR-TRE-4f39ef4a-87
0.250
MAR-TRE-d3c2bf0e-68
0.250
MAR-TRE-d3c2bf0e-51
0.241
MAR-TRE-4f39ef4a-70
0.241
MAR-TRE-d3c2bf0e-50
0.240
MAR-TRE-d3c2bf0e-30
0.240
MAR-TRE-d3c2bf0e-19
0.239
MAR-TRE-4f39ef4a-74
0.238
MAR-TRE-4f39ef4a-46
0.235
MAR-TRE-d3c2bf0e-4
0.235
MAR-TRE-d3c2bf0e-20
0.235
MAR-TRE-4f39ef4a-33
0.234
MAR-TRE-d3c2bf0e-12
0.233
MAR-TRE-4f39ef4a-82
0.231
MAR-TRE-d3c2bf0e-33
0.231
MAR-TRE-4f39ef4a-75
0.228
MAR-TRE-d3c2bf0e-11
0.228
MAR-TRE-d3c2bf0e-53
0.228
MAR-TRE-4f39ef4a-79
0.227
MAR-TRE-4f39ef4a-29
0.227
MAR-TRE-4f39ef4a-45
0.227
MAR-TRE-d3c2bf0e-56
0.226
MAR-TRE-4f39ef4a-25
0.225
MAR-TRE-d3c2bf0e-61
0.224
MAR-TRE-4f39ef4a-78
0.224
MAR-TRE-4f39ef4a-43
0.224
MAR-TRE-4f39ef4a-80
0.224
MAR-TRE-4f39ef4a-89
0.224
MAR-TRE-4f39ef4a-20
0.222