Molecular Properties | |
SMILES: | NC(=O)C(CO)n1ccn(C(CO)C(N)=O)c1=[Au+]Cl |
MW: | 474.04 |
Fraction sp3: | 0.44 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 136.5 |
cLogP: | -1.9 |
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
Undesirable_Elements_Salts
MAR-TRE-d3c2bf0e-74
0.619
MAR-TRE-d3c2bf0e-44
0.537
MAR-TRE-d3c2bf0e-22
0.524
MAR-TRE-d3c2bf0e-26
0.512
MAR-TRE-d3c2bf0e-46
0.489
MAR-TRE-d3c2bf0e-28
0.489
MAR-TRE-d3c2bf0e-45
0.478
MAR-TRE-d3c2bf0e-11
0.415
MAR-TRE-d3c2bf0e-50
0.396
MAR-TRE-d3c2bf0e-80
0.396
MAR-TRE-4f39ef4a-61
0.393
MAR-TRE-d3c2bf0e-40
0.391
MAR-TRE-d3c2bf0e-71
0.391
MAR-TRE-d3c2bf0e-25
0.386
MAR-TRE-d3c2bf0e-12
0.386
MAR-TRE-d3c2bf0e-43
0.383
MAR-TRE-d3c2bf0e-78
0.375
MAR-TRE-d3c2bf0e-35
0.362
MAR-TRE-4f39ef4a-89
0.357
MAR-TRE-d3c2bf0e-33
0.353
MAR-TRE-d3c2bf0e-60
0.353
MAR-TRE-d3c2bf0e-67
0.348
MAR-TRE-4f39ef4a-86
0.345
MAR-TRE-4f39ef4a-68
0.344
MAR-TRE-4f39ef4a-67
0.344
MAR-TRE-4f39ef4a-78
0.333
MAR-TRE-4f39ef4a-35
0.333
MAR-TRE-4f39ef4a-44
0.328
MAR-TRE-d3c2bf0e-39
0.327
MAR-TRE-d3c2bf0e-61
0.327
MAR-TRE-4f39ef4a-62
0.317
MAR-TRE-4f39ef4a-32
0.311
MAR-TRE-4f39ef4a-40
0.311
MAR-TRE-d3c2bf0e-37
0.311
MAR-TRE-4f39ef4a-52
0.308
MAR-TRE-4f39ef4a-30
0.308
MAR-TRE-4f39ef4a-48
0.306
MAR-TRE-4f39ef4a-54
0.306
MAR-TRE-d3c2bf0e-65
0.306
MAR-TRE-4f39ef4a-24
0.303
MAR-TRE-4f39ef4a-83
0.303
MAR-TRE-d3c2bf0e-76
0.298
MAR-TRE-4f39ef4a-21
0.297
MAR-TRE-4f39ef4a-11
0.297
MAR-TRE-d3c2bf0e-56
0.296
MAR-TRE-4f39ef4a-10
0.292
MAR-TRE-d3c2bf0e-58
0.292
MAR-TRE-d3c2bf0e-18
0.289
MAR-TRE-d3c2bf0e-30
0.288
MAR-TRE-d3c2bf0e-52
0.288
MAR-TRE-4f39ef4a-59
0.288
MAR-TRE-4f39ef4a-13
0.288
MAR-TRE-d3c2bf0e-81
0.286
MAR-TRE-4f39ef4a-29
0.284
MAR-TRE-d3c2bf0e-73
0.283
MAR-TRE-d3c2bf0e-63
0.283
MAR-TRE-4f39ef4a-9
0.280
MAR-TRE-4f39ef4a-88
0.279
MAR-TRE-d3c2bf0e-8
0.278
MAR-TRE-d3c2bf0e-48
0.277
MAR-TRE-d3c2bf0e-38
0.277
MAR-TRE-d3c2bf0e-77
0.275
MAR-TRE-4f39ef4a-5
0.274
MAR-TRE-4f39ef4a-76
0.270
MAR-TRE-d3c2bf0e-15
0.269
MAR-TRE-4f39ef4a-63
0.269
MAR-TRE-4f39ef4a-51
0.267
MAR-TRE-4f39ef4a-66
0.267
MAR-TRE-d3c2bf0e-82
0.265
MAR-TRE-d3c2bf0e-9
0.265
MAR-TRE-4f39ef4a-31
0.263
MAR-TRE-4f39ef4a-57
0.263
MAR-TRE-d3c2bf0e-5
0.263
MAR-TRE-d3c2bf0e-72
0.261
MAR-TRE-4f39ef4a-26
0.260
MAR-TRE-d3c2bf0e-59
0.259
MAR-TRE-4f39ef4a-90
0.258
MAR-TRE-4f39ef4a-34
0.253
MAR-TRE-4f39ef4a-50
0.250
MAR-TRE-4f39ef4a-87
0.250
MAR-TRE-4f39ef4a-82
0.250
MAR-TRE-d3c2bf0e-6
0.246
MAR-TRE-d3c2bf0e-79
0.246
MAR-TRE-d3c2bf0e-42
0.246
MAR-TRE-d3c2bf0e-36
0.245
MAR-TRE-d3c2bf0e-2
0.242
MAR-TRE-4f39ef4a-74
0.239
MAR-TRE-d3c2bf0e-3
0.237
MAR-TRE-d3c2bf0e-29
0.237
MAR-TRE-d3c2bf0e-4
0.236
MAR-TRE-d3c2bf0e-20
0.236
MAR-TRE-d3c2bf0e-49
0.235
MAR-TRE-4f39ef4a-69
0.234
MAR-TRE-4f39ef4a-23
0.234
MAR-TRE-d3c2bf0e-75
0.232
MAR-TRE-d3c2bf0e-53
0.230
MAR-TRE-4f39ef4a-75
0.230
MAR-TRE-4f39ef4a-45
0.229
MAR-TRE-4f39ef4a-43
0.226
MAR-TRE-d3c2bf0e-10
0.226