Molecular Properties | |
SMILES: | CC(C)(C)OC(=O)Cn1ccn(CC(=O)OC(C)(C)C)c1=[Au+]Cl |
MW: | 528.11 |
Fraction sp3: | 0.67 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 62.46 |
cLogP: | 2.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
contains_metal
halogen_heteroatom
Halogen-bonded heteroatoms
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Carboxylic acid esters
Filter9_metal
unacceptable atoms
Ester
Undesirable_Elements_Salts
MAR-TRE-d3c2bf0e-65
0.619
MAR-TRE-d3c2bf0e-37
0.500
MAR-TRE-d3c2bf0e-29
0.426
MAR-TRE-d3c2bf0e-79
0.389
MAR-TRE-d3c2bf0e-59
0.358
MAR-TRE-d3c2bf0e-18
0.348
MAR-TRE-d3c2bf0e-63
0.340
MAR-TRE-d3c2bf0e-52
0.340
MAR-TRE-d3c2bf0e-76
0.327
MAR-TRE-d3c2bf0e-15
0.321
MAR-TRE-d3c2bf0e-58
0.320
MAR-TRE-d3c2bf0e-72
0.319
MAR-TRE-d3c2bf0e-42
0.316
MAR-TRE-d3c2bf0e-28
0.315
MAR-TRE-d3c2bf0e-78
0.311
MAR-TRE-d3c2bf0e-22
0.308
MAR-TRE-d3c2bf0e-38
0.306
MAR-TRE-d3c2bf0e-48
0.306
MAR-TRE-d3c2bf0e-60
0.304
MAR-TRE-d3c2bf0e-26
0.302
MAR-TRE-d3c2bf0e-36
0.296
MAR-TRE-d3c2bf0e-82
0.294
MAR-TRE-d3c2bf0e-67
0.294
MAR-TRE-d3c2bf0e-50
0.291
MAR-TRE-d3c2bf0e-46
0.291
MAR-TRE-d3c2bf0e-80
0.291
MAR-TRE-d3c2bf0e-44
0.288
MAR-TRE-d3c2bf0e-81
0.288
MAR-TRE-d3c2bf0e-1
0.288
MAR-TRE-d3c2bf0e-62
0.288
MAR-TRE-d3c2bf0e-74
0.286
MAR-TRE-4f39ef4a-55
0.286
MAR-TRE-d3c2bf0e-45
0.286
MAR-TRE-d3c2bf0e-70
0.286
MAR-TRE-4f39ef4a-6
0.284
MAR-TRE-d3c2bf0e-3
0.283
MAR-TRE-d3c2bf0e-14
0.283
MAR-TRE-d3c2bf0e-71
0.283
MAR-TRE-d3c2bf0e-54
0.281
MAR-TRE-d3c2bf0e-8
0.281
MAR-TRE-d3c2bf0e-75
0.281
MAR-TRE-d3c2bf0e-31
0.281
MAR-TRE-d3c2bf0e-43
0.278
MAR-TRE-d3c2bf0e-77
0.278
MAR-TRE-d3c2bf0e-56
0.276
MAR-TRE-d3c2bf0e-25
0.275
MAR-TRE-4f39ef4a-82
0.271
MAR-TRE-d3c2bf0e-34
0.271
MAR-TRE-4f39ef4a-80
0.270
MAR-TRE-d3c2bf0e-66
0.266
MAR-TRE-d3c2bf0e-23
0.263
MAR-TRE-4f39ef4a-25
0.263
MAR-TRE-d3c2bf0e-47
0.263
MAR-TRE-d3c2bf0e-17
0.262
MAR-TRE-4f39ef4a-12
0.262
MAR-TRE-4f39ef4a-88
0.262
MAR-TRE-4f39ef4a-41
0.261
MAR-TRE-d3c2bf0e-32
0.260
MAR-TRE-d3c2bf0e-40
0.259
MAR-TRE-d3c2bf0e-21
0.259
MAR-TRE-d3c2bf0e-69
0.258
MAR-TRE-4f39ef4a-23
0.258
MAR-TRE-4f39ef4a-62
0.258
MAR-TRE-4f39ef4a-16
0.257
MAR-TRE-d3c2bf0e-13
0.254
MAR-TRE-d3c2bf0e-68
0.254
MAR-TRE-d3c2bf0e-11
0.254
MAR-TRE-4f39ef4a-75
0.254
MAR-TRE-4f39ef4a-35
0.254
MAR-TRE-4f39ef4a-40
0.254
MAR-TRE-4f39ef4a-52
0.254
MAR-TRE-4f39ef4a-13
0.254
MAR-TRE-4f39ef4a-78
0.250
MAR-TRE-4f39ef4a-89
0.250
MAR-TRE-4f39ef4a-29
0.250
MAR-TRE-d3c2bf0e-2
0.246
MAR-TRE-d3c2bf0e-51
0.246
MAR-TRE-d3c2bf0e-41
0.246
MAR-TRE-d3c2bf0e-9
0.245
MAR-TRE-d3c2bf0e-19
0.243
MAR-TRE-4f39ef4a-74
0.243
MAR-TRE-4f39ef4a-86
0.242
MAR-TRE-4f39ef4a-61
0.242
MAR-TRE-4f39ef4a-53
0.242
MAR-TRE-d3c2bf0e-24
0.242
MAR-TRE-e86a56b5-44
0.241
MAR-TRE-d3c2bf0e-49
0.241
MAR-TRE-4f39ef4a-72
0.239
MAR-TRE-d3c2bf0e-12
0.239
MAR-TRE-4f39ef4a-69
0.239
MAR-TRE-d3c2bf0e-57
0.237
MAR-TRE-4f39ef4a-32
0.235
MAR-TRE-d3c2bf0e-7
0.234
MAR-TRE-4f39ef4a-87
0.234
MAR-TRE-d3c2bf0e-55
0.233
MAR-TRE-4f39ef4a-45
0.233
MAR-TRE-4f39ef4a-83
0.233
MAR-TRE-4f39ef4a-44
0.232
MAR-TRE-4f39ef4a-48
0.232
MAR-TRE-4f39ef4a-54
0.232