Molecular Properties | |
SMILES: | CC(=O)NC(CC(=O)n1ccn(C)c1=[Au+]Cl)C(=O)O |
MW: | 471.03 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 93.33 |
cLogP: | 0.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
contains_metal
halogen_heteroatom
Halogen-bonded heteroatoms
N-Acyl substituted azoheterocycles
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
unacceptable atoms
Undesirable_Elements_Salts
MAR-TRE-4f39ef4a-75
0.475
MAR-TRE-4f39ef4a-74
0.463
MAR-TRE-4f39ef4a-56
0.433
MAR-TRE-4f39ef4a-28
0.408
MAR-TRE-4f39ef4a-82
0.389
MAR-TRE-4f39ef4a-45
0.384
MAR-TRE-4f39ef4a-90
0.380
MAR-TRE-d3c2bf0e-58
0.375
MAR-TRE-d3c2bf0e-15
0.373
MAR-TRE-4f39ef4a-6
0.366
MAR-TRE-4f39ef4a-59
0.358
MAR-TRE-4f39ef4a-61
0.348
MAR-TRE-4f39ef4a-35
0.338
MAR-TRE-4f39ef4a-18
0.338
MAR-TRE-4f39ef4a-25
0.338
MAR-TRE-4f39ef4a-88
0.329
MAR-TRE-d3c2bf0e-67
0.328
MAR-TRE-4f39ef4a-72
0.324
MAR-TRE-d3c2bf0e-52
0.323
MAR-TRE-4f39ef4a-32
0.319
MAR-TRE-4f39ef4a-40
0.319
MAR-TRE-4f39ef4a-43
0.319
MAR-TRE-4f39ef4a-89
0.319
MAR-TRE-4f39ef4a-78
0.319
MAR-TRE-4f39ef4a-63
0.316
MAR-TRE-4f39ef4a-44
0.315
MAR-TRE-4f39ef4a-15
0.313
MAR-TRE-d3c2bf0e-43
0.311
MAR-TRE-4f39ef4a-67
0.311
MAR-TRE-4f39ef4a-68
0.311
MAR-TRE-4f39ef4a-86
0.310
MAR-TRE-4f39ef4a-21
0.307
MAR-TRE-4f39ef4a-62
0.306
MAR-TRE-4f39ef4a-10
0.303
MAR-TRE-d3c2bf0e-81
0.300
MAR-TRE-4f39ef4a-66
0.300
MAR-TRE-4f39ef4a-52
0.299
MAR-TRE-4f39ef4a-54
0.297
MAR-TRE-4f39ef4a-48
0.297
MAR-TRE-e86a56b5-63
0.297
MAR-TRE-fffca54f-96
0.297
MAR-TRE-d3c2bf0e-78
0.296
MAR-TRE-d3c2bf0e-40
0.295
MAR-TRE-d3c2bf0e-22
0.295
MAR-TRE-4f39ef4a-53
0.294
MAR-TRE-d3c2bf0e-26
0.290
MAR-TRE-d3c2bf0e-77
0.290
MAR-TRE-4f39ef4a-11
0.289
MAR-TRE-d3c2bf0e-25
0.288
MAR-TRE-e86a56b5-49
0.288
MAR-TRE-aca67d11-97
0.288
MAR-TRE-4f39ef4a-23
0.288
MAR-TRE-d3c2bf0e-12
0.288
MAR-TRE-e86a56b5-64
0.284
MAR-TRE-4f39ef4a-13
0.282
MAR-TRE-4f39ef4a-30
0.282
MAR-TRE-4f39ef4a-80
0.282
MAR-TRE-d3c2bf0e-28
0.281
MAR-TRE-d3c2bf0e-46
0.281
MAR-TRE-d3c2bf0e-44
0.279
MAR-TRE-4f39ef4a-24
0.278
MAR-TRE-4f39ef4a-29
0.278
MAR-TRE-4f39ef4a-71
0.278
MAR-TRE-d3c2bf0e-37
0.276
MAR-TRE-d3c2bf0e-65
0.274
MAR-TRE-4f39ef4a-84
0.274
MAR-TRE-4f39ef4a-27
0.273
MAR-TRE-4f39ef4a-41
0.273
MAR-TRE-d3c2bf0e-8
0.273
MAR-TRE-d3c2bf0e-60
0.273
MAR-TRE-4f39ef4a-16
0.268
MAR-TRE-e86a56b5-90
0.265
MAR-TRE-4f39ef4a-14
0.263
MAR-TRE-4f39ef4a-55
0.263
MAR-TRE-4f39ef4a-83
0.263
MAR-TRE-d3c2bf0e-82
0.262
MAR-TRE-d3c2bf0e-80
0.262
MAR-TRE-4f39ef4a-22
0.259
MAR-TRE-d3c2bf0e-18
0.259
MAR-TRE-d3c2bf0e-45
0.258
MAR-TRE-4f39ef4a-5
0.256
MAR-TRE-d3c2bf0e-71
0.254
MAR-TRE-4f39ef4a-34
0.253
MAR-TRE-4f39ef4a-87
0.250
MAR-TRE-e86a56b5-54
0.250
MAR-TRE-4f39ef4a-50
0.250
MAR-TRE-4f39ef4a-51
0.250
MAR-TRE-c317dd82-21
0.250
MAR-TRE-4f39ef4a-57
0.247
MAR-TRE-4f39ef4a-31
0.247
MAR-TRE-4f39ef4a-79
0.247
MAR-TRE-e82e6c98-72
0.247
MAR-TRE-4f39ef4a-26
0.244
MAR-TRE-4f39ef4a-17
0.244
MAR-TRE-4f39ef4a-20
0.244
MAR-TRE-4f39ef4a-70
0.243
MAR-TRE-d3c2bf0e-50
0.242
MAR-TRE-4f39ef4a-12
0.240
MAR-TRE-4f39ef4a-36
0.240
MAR-TRE-d3c2bf0e-39
0.239