Molecular Properties | |
SMILES: | Cn1ccn(CCc2ccc(O)c(O)c2)c1=[Au+]Cl |
MW: | 450.04 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 50.32 |
cLogP: | 2.25 |
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-3
0.725
MAR-TRE-4f39ef4a-12
0.525
MAR-TRE-4f39ef4a-20
0.492
MAR-TRE-4f39ef4a-21
0.485
MAR-TRE-4f39ef4a-25
0.427
MAR-TRE-4f39ef4a-22
0.417
MAR-TRE-4f39ef4a-88
0.409
MAR-TRE-4f39ef4a-74
0.400
MAR-TRE-4f39ef4a-39
0.392
MAR-TRE-4f39ef4a-13
0.389
MAR-TRE-4f39ef4a-6
0.386
MAR-TRE-4f39ef4a-58
0.380
KEI-TRE-bda2794f-1
0.370
MAR-TRE-4f39ef4a-82
0.370
MAR-TRE-4f39ef4a-30
0.370
MAR-TRE-4f39ef4a-63
0.370
MAR-TRE-d3c2bf0e-54
0.368
MAR-TRE-4f39ef4a-24
0.365
MAR-TRE-4f39ef4a-45
0.365
MAR-TRE-d3c2bf0e-7
0.364
MAR-TRE-4f39ef4a-15
0.362
MAR-TRE-4f39ef4a-40
0.357
MAR-TRE-4f39ef4a-18
0.355
MAR-TRE-d3c2bf0e-75
0.355
MAR-TRE-4f39ef4a-70
0.353
MAR-TRE-4f39ef4a-14
0.352
MAR-TRE-4f39ef4a-87
0.343
MAR-TRE-d3c2bf0e-1
0.338
MAR-TRE-4f39ef4a-16
0.333
MAR-TRE-4f39ef4a-44
0.333
MAR-TRE-4f39ef4a-11
0.324
MAR-TRE-4f39ef4a-10
0.320
MAR-TRE-4f39ef4a-32
0.319
MAR-TRE-4f39ef4a-89
0.319
MAR-TRE-4f39ef4a-52
0.316
MAR-TRE-d3c2bf0e-66
0.314
MAR-TRE-fffca54f-79
0.310
MAR-TRE-4f39ef4a-86
0.310
MAR-TRE-4f39ef4a-27
0.307
MAR-TRE-4f39ef4a-41
0.307
MAR-TRE-4f39ef4a-62
0.306
MAR-TRE-4f39ef4a-33
0.303
MAR-TRE-d3c2bf0e-52
0.302
MAR-TRE-4f39ef4a-35
0.301
MAR-TRE-4f39ef4a-78
0.300
MAR-TRE-d3c2bf0e-6
0.300
MAR-TRE-d3c2bf0e-59
0.297
MAR-TRE-4f39ef4a-55
0.295
MAR-TRE-fffca54f-71
0.290
MAR-TRE-4f39ef4a-69
0.288
MAR-TRE-4f39ef4a-46
0.284
MAR-TRE-4f39ef4a-66
0.282
MAR-TRE-d3c2bf0e-46
0.281
MAR-TRE-4f39ef4a-54
0.280
MAR-TRE-4f39ef4a-48
0.280
MAR-TRE-d3c2bf0e-47
0.277
MAR-TRE-4f39ef4a-67
0.276
MAR-TRE-4f39ef4a-68
0.276
MAR-TRE-d3c2bf0e-37
0.276
MAR-TRE-4f39ef4a-53
0.275
MAR-TRE-d3c2bf0e-65
0.274
MAR-TRE-d3c2bf0e-22
0.274
MAR-TRE-4f39ef4a-61
0.274
MAR-TRE-d3c2bf0e-8
0.273
MAR-TRE-4f39ef4a-5
0.271
MAR-TRE-d3c2bf0e-26
0.270
MAR-TRE-d3c2bf0e-11
0.268
MAR-TRE-d3c2bf0e-76
0.267
MAR-TRE-d3c2bf0e-36
0.266
MAR-TRE-4f39ef4a-65
0.265
MAR-TRE-4f39ef4a-50
0.264
MAR-TRE-d3c2bf0e-10
0.264
MAR-TRE-4f39ef4a-80
0.264
MAR-TRE-85681e92-46
0.263
MAR-TRE-4f39ef4a-29
0.263
MAR-TRE-4f39ef4a-79
0.263
MAR-TRE-d3c2bf0e-28
0.262
MAR-TRE-4f39ef4a-31
0.261
MAR-TRE-d3c2bf0e-62
0.261
MAR-TRE-d3c2bf0e-64
0.261
MAR-TRE-e86a56b5-35
0.259
MAR-TRE-4f39ef4a-26
0.258
MAR-TRE-d3c2bf0e-44
0.258
MAR-TRE-d3c2bf0e-70
0.258
MAR-TRE-d3c2bf0e-73
0.258
MAR-TRE-d3c2bf0e-17
0.257
MAR-TRE-d3c2bf0e-29
0.257
MAR-TRE-4f39ef4a-90
0.256
MAR-TRE-d3c2bf0e-19
0.256
MAR-TRE-4f39ef4a-2
0.256
MAR-TRE-d3c2bf0e-63
0.254
MAR-TRE-d3c2bf0e-69
0.254
MAR-TRE-d3c2bf0e-12
0.253
MAR-TRE-4f39ef4a-75
0.250
MAR-TRE-4f39ef4a-51
0.250
MAR-TRE-d3c2bf0e-43
0.250
MAR-TRE-4f39ef4a-57
0.247
MAR-TRE-4f39ef4a-9
0.247
MAR-TRE-4f39ef4a-83
0.247
MAR-TRE-4f39ef4a-59
0.247