Molecular Properties | |
SMILES: | CC(NC(=O)C(CO)n1ccn(C)c1=[Au+]Cl)C(=O)O |
MW: | 473.04 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 96.49 |
cLogP: | -0.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
contains_metal
halogen_heteroatom
Halogen-bonded heteroatoms
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
unacceptable atoms
Long aliphatic chain
Undesirable_Elements_Salts
MAR-TRE-4f39ef4a-59
0.607
MAR-TRE-4f39ef4a-32
0.516
MAR-TRE-4f39ef4a-67
0.500
MAR-TRE-4f39ef4a-68
0.500
MAR-TRE-4f39ef4a-78
0.500
MAR-TRE-4f39ef4a-89
0.500
MAR-TRE-4f39ef4a-86
0.484
MAR-TRE-4f39ef4a-30
0.478
MAR-TRE-4f39ef4a-62
0.476
MAR-TRE-4f39ef4a-35
0.469
MAR-TRE-4f39ef4a-40
0.469
MAR-TRE-4f39ef4a-48
0.462
MAR-TRE-4f39ef4a-54
0.462
MAR-TRE-4f39ef4a-44
0.462
MAR-TRE-4f39ef4a-11
0.448
MAR-TRE-4f39ef4a-90
0.448
MAR-TRE-4f39ef4a-21
0.448
MAR-TRE-4f39ef4a-10
0.441
MAR-TRE-4f39ef4a-52
0.435
MAR-TRE-4f39ef4a-13
0.435
MAR-TRE-4f39ef4a-29
0.429
MAR-TRE-4f39ef4a-24
0.429
MAR-TRE-d3c2bf0e-28
0.421
MAR-TRE-d3c2bf0e-22
0.418
MAR-TRE-4f39ef4a-83
0.408
MAR-TRE-4f39ef4a-5
0.408
MAR-TRE-d3c2bf0e-44
0.400
MAR-TRE-d3c2bf0e-14
0.393
MAR-TRE-4f39ef4a-31
0.392
MAR-TRE-4f39ef4a-26
0.388
MAR-TRE-d3c2bf0e-26
0.386
MAR-TRE-4f39ef4a-66
0.385
MAR-TRE-4f39ef4a-50
0.380
MAR-TRE-4f39ef4a-51
0.380
MAR-TRE-4f39ef4a-9
0.375
MAR-TRE-4f39ef4a-57
0.375
MAR-TRE-d3c2bf0e-46
0.373
MAR-TRE-d3c2bf0e-25
0.364
MAR-TRE-d3c2bf0e-43
0.362
MAR-TRE-4f39ef4a-34
0.361
MAR-TRE-4f39ef4a-28
0.359
MAR-TRE-4f39ef4a-63
0.356
MAR-TRE-4f39ef4a-69
0.348
MAR-TRE-d3c2bf0e-12
0.348
MAR-TRE-4f39ef4a-74
0.347
MAR-TRE-d3c2bf0e-40
0.345
MAR-TRE-d3c2bf0e-74
0.344
MAR-TRE-d3c2bf0e-45
0.344
MAR-TRE-4f39ef4a-76
0.343
MAR-TRE-4f39ef4a-6
0.333
MAR-TRE-4f39ef4a-15
0.333
MAR-TRE-4f39ef4a-88
0.333
MAR-TRE-d3c2bf0e-11
0.328
MAR-TRE-d3c2bf0e-80
0.328
MAR-TRE-d3c2bf0e-71
0.322
MAR-TRE-d3c2bf0e-60
0.317
MAR-TRE-4f39ef4a-45
0.316
MAR-TRE-4f39ef4a-75
0.309
MAR-TRE-d3c2bf0e-50
0.306
MAR-TRE-d3c2bf0e-52
0.306
MAR-TRE-4f39ef4a-80
0.304
MAR-TRE-4f39ef4a-82
0.303
MAR-TRE-4f39ef4a-14
0.301
MAR-TRE-4f39ef4a-53
0.299
MAR-TRE-4f39ef4a-25
0.293
MAR-TRE-4f39ef4a-87
0.290
MAR-TRE-4f39ef4a-56
0.284
MAR-TRE-d3c2bf0e-33
0.277
MAR-TRE-87acfbcc-25
0.276
MAR-TRE-4f39ef4a-41
0.276
MAR-TRE-e86a56b5-98
0.275
MAR-TRE-4f39ef4a-23
0.274
MAR-TRE-d3c2bf0e-58
0.267
MAR-TRE-4f39ef4a-55
0.266
MAR-TRE-4f39ef4a-71
0.264
MAR-TRE-d3c2bf0e-18
0.263
MAR-TRE-4f39ef4a-22
0.263
MAR-TRE-4f39ef4a-84
0.262
MAR-TRE-d3c2bf0e-39
0.261
MAR-TRE-4f39ef4a-12
0.260
MAR-TRE-4f39ef4a-27
0.260
MAR-TRE-4f39ef4a-18
0.259
MAR-TRE-d3c2bf0e-37
0.259
MAR-TRE-d3c2bf0e-65
0.258
MAR-TRE-4f39ef4a-33
0.256
MAR-TRE-d3c2bf0e-77
0.254
MAR-TRE-d3c2bf0e-56
0.254
MAR-TRE-4f39ef4a-79
0.250
MAR-TRE-d3c2bf0e-15
0.250
MAR-TRE-d3c2bf0e-76
0.250
MAR-TRE-4f39ef4a-70
0.247
MAR-TRE-d3c2bf0e-9
0.246
MAR-TRE-d3c2bf0e-67
0.246
MAR-TRE-4f39ef4a-58
0.244
MAR-TRE-4f39ef4a-36
0.243
MAR-TRE-d3c2bf0e-73
0.242
MAR-TRE-d3c2bf0e-59
0.242
MAR-TRE-4f39ef4a-7
0.241
MAR-TRE-4f39ef4a-16
0.241
MAR-TRE-4f39ef4a-72
0.240