Molecular Properties | |
SMILES: | CC(C(O)c1ccc(O)c(O)c1)n1ccn(C)c1=[Au+]Cl |
MW: | 480.05 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 70.55 |
cLogP: | 2.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
contains_metal
halogen_heteroatom
catechol
Halogen-bonded heteroatoms
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
unacceptable atoms
catechol_A(92)
Undesirable_Elements_Salts
MAR-TRE-d3c2bf0e-6
0.755
MAR-TRE-4f39ef4a-63
0.594
MAR-TRE-d3c2bf0e-5
0.435
MAR-TRE-4f39ef4a-20
0.435
MAR-TRE-4f39ef4a-18
0.419
MAR-TRE-4f39ef4a-21
0.408
MAR-TRE-d3c2bf0e-7
0.373
MAR-TRE-4f39ef4a-66
0.368
MAR-TRE-4f39ef4a-23
0.352
MAR-TRE-87acfbcc-83
0.347
MAR-TRE-4f39ef4a-13
0.342
MAR-TRE-4f39ef4a-30
0.342
MAR-TRE-e86a56b5-20
0.339
MAR-TRE-fffca54f-61
0.339
MAR-TRE-4f39ef4a-24
0.338
MAR-TRE-4f39ef4a-11
0.333
MAR-TRE-4f39ef4a-39
0.329
MAR-TRE-4f39ef4a-40
0.329
MAR-TRE-4f39ef4a-89
0.329
MAR-TRE-4f39ef4a-86
0.319
MAR-TRE-4f39ef4a-10
0.312
MAR-TRE-4f39ef4a-32
0.311
MAR-TRE-4f39ef4a-59
0.310
MAR-TRE-4f39ef4a-78
0.310
MAR-TRE-4f39ef4a-44
0.307
MAR-TRE-d3c2bf0e-3
0.304
MAR-TRE-4f39ef4a-61
0.301
MAR-TRE-4f39ef4a-22
0.300
MAR-TRE-4f39ef4a-62
0.297
MAR-TRE-4f39ef4a-35
0.293
MAR-TRE-4f39ef4a-52
0.291
MAR-TRE-4f39ef4a-48
0.289
MAR-TRE-4f39ef4a-54
0.289
MAR-TRE-4f39ef4a-29
0.287
MAR-TRE-4f39ef4a-67
0.286
MAR-TRE-4f39ef4a-68
0.286
MAR-TRE-4f39ef4a-12
0.284
MAR-TRE-4f39ef4a-90
0.282
MAR-TRE-4f39ef4a-58
0.282
MAR-TRE-4f39ef4a-5
0.279
MAR-TRE-4f39ef4a-76
0.276
MAR-TRE-85681e92-34
0.276
MAR-TRE-4f39ef4a-50
0.273
MAR-TRE-4f39ef4a-31
0.270
MAR-TRE-4f39ef4a-36
0.267
MAR-TRE-d3c2bf0e-40
0.266
MAR-TRE-4f39ef4a-69
0.263
MAR-TRE-d3c2bf0e-43
0.262
MAR-TRE-4f39ef4a-87
0.260
MAR-TRE-36bf7dba-93
0.259
MAR-TRE-36bf7dba-65
0.259
MAR-TRE-4f39ef4a-51
0.258
MAR-TRE-d3c2bf0e-25
0.258
MAR-TRE-4f39ef4a-83
0.256
MAR-TRE-4f39ef4a-9
0.256
MAR-TRE-4f39ef4a-57
0.256
MAR-TRE-d3c2bf0e-28
0.254
MAR-TRE-d3c2bf0e-46
0.254
MAR-TRE-d3c2bf0e-50
0.254
MAR-TRE-4f39ef4a-26
0.253
MAR-TRE-d3c2bf0e-39
0.250
MAR-TRE-4f39ef4a-34
0.247
MAR-TRE-4f39ef4a-46
0.247
MAR-TRE-d3c2bf0e-60
0.246
MAR-TRE-d3c2bf0e-22
0.246
MAR-TRE-d3c2bf0e-71
0.246
MAR-TRE-d3c2bf0e-26
0.242
MAR-TRE-4f39ef4a-65
0.239
MAR-TRE-fffca54f-79
0.238
MAR-TRE-4f39ef4a-70
0.237
MAR-TRE-d3c2bf0e-66
0.237
MAR-TRE-d3c2bf0e-1
0.236
MAR-TRE-d3c2bf0e-80
0.235
MAR-TRE-36bf7dba-88
0.235
MAR-TRE-4f39ef4a-2
0.235
MAR-TRE-4f39ef4a-41
0.235
MAR-TRE-4f39ef4a-53
0.233
MAR-TRE-d3c2bf0e-74
0.232
MAR-TRE-4f39ef4a-33
0.232
MAR-TRE-d3c2bf0e-12
0.231
MAR-TRE-d3c2bf0e-44
0.231
MAR-TRE-87acfbcc-29
0.230
MAR-TRE-4f39ef4a-8
0.229
MAR-TRE-85681e92-56
0.229
MAR-TRE-d3c2bf0e-33
0.229
MAR-TRE-d3c2bf0e-56
0.225
MAR-TRE-4f39ef4a-84
0.225
MAR-TRE-4f39ef4a-25
0.225
MAR-TRE-d3c2bf0e-10
0.224
MAR-TRE-4f39ef4a-43
0.224
MAR-TRE-4f39ef4a-6
0.222
MAR-TRE-4f39ef4a-71
0.221
MAR-TRE-4f39ef4a-74
0.220
MAR-TRE-36bf7dba-78
0.218
MAR-TRE-4f39ef4a-88
0.218
MAR-TRE-d3c2bf0e-52
0.217
MAR-TRE-4f39ef4a-73
0.216
MAR-TRE-4f39ef4a-60
0.216
MAR-TRE-4f39ef4a-82
0.214
MAR-TRE-d3c2bf0e-45
0.214