Molecular Properties | |
SMILES: | COC(=O)Cn1ccn(CC(=O)OC)c1=[Au+]Cl |
MW: | 444.01 |
Fraction sp3: | 0.44 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 62.46 |
cLogP: | 0.4 |
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
Ester
Undesirable_Elements_Salts
MAR-TRE-d3c2bf0e-73
0.619
MAR-TRE-d3c2bf0e-37
0.553
MAR-TRE-d3c2bf0e-29
0.490
MAR-TRE-d3c2bf0e-60
0.438
MAR-TRE-d3c2bf0e-79
0.420
MAR-TRE-d3c2bf0e-52
0.396
MAR-TRE-d3c2bf0e-71
0.391
MAR-TRE-d3c2bf0e-58
0.378
MAR-TRE-d3c2bf0e-63
0.372
MAR-TRE-d3c2bf0e-50
0.367
MAR-TRE-d3c2bf0e-59
0.360
MAR-TRE-d3c2bf0e-76
0.356
MAR-TRE-d3c2bf0e-77
0.354
MAR-TRE-d3c2bf0e-67
0.348
MAR-TRE-d3c2bf0e-15
0.347
MAR-TRE-d3c2bf0e-78
0.341
MAR-TRE-d3c2bf0e-80
0.340
MAR-TRE-d3c2bf0e-42
0.340
MAR-TRE-d3c2bf0e-70
0.333
MAR-TRE-d3c2bf0e-22
0.333
MAR-TRE-d3c2bf0e-31
0.327
MAR-TRE-d3c2bf0e-43
0.327
MAR-TRE-d3c2bf0e-26
0.327
MAR-TRE-d3c2bf0e-25
0.326
MAR-TRE-4f39ef4a-6
0.323
MAR-TRE-d3c2bf0e-54
0.322
MAR-TRE-d3c2bf0e-36
0.320
MAR-TRE-d3c2bf0e-82
0.319
MAR-TRE-d3c2bf0e-72
0.318
MAR-TRE-d3c2bf0e-18
0.318
MAR-TRE-d3c2bf0e-28
0.314
MAR-TRE-d3c2bf0e-46
0.314
MAR-TRE-d3c2bf0e-44
0.312
MAR-TRE-d3c2bf0e-81
0.312
MAR-TRE-d3c2bf0e-1
0.309
MAR-TRE-4f39ef4a-82
0.308
MAR-TRE-d3c2bf0e-47
0.308
MAR-TRE-d3c2bf0e-74
0.308
MAR-TRE-d3c2bf0e-14
0.306
MAR-TRE-d3c2bf0e-40
0.306
MAR-TRE-d3c2bf0e-66
0.305
MAR-TRE-d3c2bf0e-3
0.304
MAR-TRE-d3c2bf0e-21
0.302
MAR-TRE-d3c2bf0e-75
0.302
MAR-TRE-d3c2bf0e-8
0.302
MAR-TRE-0fda4e82-88
0.300
MAR-TRE-d3c2bf0e-69
0.298
MAR-TRE-d3c2bf0e-32
0.294
MAR-TRE-d3c2bf0e-68
0.293
MAR-TRE-d3c2bf0e-34
0.291
MAR-TRE-4f39ef4a-80
0.288
MAR-TRE-d3c2bf0e-62
0.286
MAR-TRE-4f39ef4a-55
0.284
MAR-TRE-d3c2bf0e-51
0.283
MAR-TRE-d3c2bf0e-23
0.283
MAR-TRE-d3c2bf0e-45
0.283
MAR-TRE-4f39ef4a-88
0.279
MAR-TRE-4f39ef4a-12
0.279
MAR-TRE-4f39ef4a-25
0.278
MAR-TRE-4f39ef4a-74
0.277
MAR-TRE-d3c2bf0e-38
0.277
MAR-TRE-d3c2bf0e-48
0.277
MAR-TRE-d3c2bf0e-19
0.275
MAR-TRE-4f39ef4a-23
0.274
MAR-TRE-4f39ef4a-69
0.274
MAR-TRE-d3c2bf0e-13
0.273
MAR-TRE-4f39ef4a-16
0.271
MAR-TRE-d3c2bf0e-11
0.271
MAR-TRE-4f39ef4a-75
0.271
MAR-TRE-4f39ef4a-52
0.269
MAR-TRE-4f39ef4a-89
0.267
MAR-TRE-4f39ef4a-56
0.266
MAR-TRE-d3c2bf0e-9
0.265
MAR-TRE-4f39ef4a-45
0.265
MAR-TRE-4f39ef4a-83
0.265
MAR-TRE-d3c2bf0e-41
0.264
MAR-TRE-d3c2bf0e-64
0.263
MAR-TRE-d3c2bf0e-2
0.262
MAR-TRE-d3c2bf0e-49
0.260
MAR-TRE-d3c2bf0e-17
0.259
MAR-TRE-d3c2bf0e-24
0.259
MAR-TRE-4f39ef4a-61
0.258
MAR-TRE-d3c2bf0e-57
0.255
MAR-TRE-4f39ef4a-62
0.254
MAR-TRE-4f39ef4a-72
0.254
MAR-TRE-d3c2bf0e-12
0.254
MAR-TRE-d3c2bf0e-56
0.250
MAR-TRE-d3c2bf0e-55
0.250
MAR-TRE-d3c2bf0e-61
0.250
MAR-TRE-4f39ef4a-87
0.250
MAR-TRE-4f39ef4a-35
0.250
MAR-TRE-d3c2bf0e-7
0.250
MAR-TRE-4f39ef4a-43
0.246
MAR-TRE-d3c2bf0e-10
0.246
MAR-TRE-4f39ef4a-78
0.246
MAR-TRE-4f39ef4a-59
0.246
MAR-TRE-4f39ef4a-67
0.242
MAR-TRE-4f39ef4a-68
0.242
MAR-TRE-4f39ef4a-70
0.242
MAR-TRE-4f39ef4a-39
0.239