Molecular Properties | |
SMILES: | NC(=O)n1ccn(C(N)=O)c1=[Au+]Cl |
MW: | 385.98 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 0 |
TPSA: | 96.04 |
cLogP: | -0.09 |
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-67
0.472
MAR-TRE-d3c2bf0e-58
0.395
MAR-TRE-d3c2bf0e-37
0.389
MAR-TRE-d3c2bf0e-81
0.385
MAR-TRE-d3c2bf0e-14
0.375
MAR-TRE-d3c2bf0e-77
0.366
MAR-TRE-d3c2bf0e-18
0.361
MAR-TRE-d3c2bf0e-15
0.357
MAR-TRE-d3c2bf0e-65
0.341
MAR-TRE-d3c2bf0e-71
0.341
MAR-TRE-d3c2bf0e-74
0.341
MAR-TRE-d3c2bf0e-25
0.333
MAR-TRE-d3c2bf0e-8
0.333
MAR-TRE-d3c2bf0e-9
0.325
MAR-TRE-4f39ef4a-75
0.320
MAR-TRE-d3c2bf0e-50
0.318
MAR-TRE-d3c2bf0e-80
0.318
MAR-TRE-d3c2bf0e-44
0.317
MAR-TRE-d3c2bf0e-49
0.317
MAR-TRE-d3c2bf0e-63
0.316
MAR-TRE-4f39ef4a-43
0.314
MAR-TRE-d3c2bf0e-73
0.311
MAR-TRE-d3c2bf0e-20
0.311
MAR-TRE-d3c2bf0e-4
0.311
MAR-TRE-d3c2bf0e-22
0.310
MAR-TRE-d3c2bf0e-40
0.310
MAR-TRE-d3c2bf0e-43
0.302
MAR-TRE-d3c2bf0e-26
0.302
MAR-TRE-d3c2bf0e-76
0.300
MAR-TRE-4f39ef4a-69
0.296
MAR-TRE-d3c2bf0e-82
0.293
MAR-TRE-d3c2bf0e-42
0.292
MAR-TRE-d3c2bf0e-79
0.292
MAR-TRE-d3c2bf0e-52
0.289
MAR-TRE-d3c2bf0e-28
0.289
MAR-TRE-d3c2bf0e-46
0.289
MAR-TRE-4f39ef4a-56
0.286
MAR-TRE-d3c2bf0e-59
0.283
MAR-TRE-d3c2bf0e-45
0.283
MAR-TRE-d3c2bf0e-29
0.280
MAR-TRE-d3c2bf0e-60
0.277
MAR-TRE-d3c2bf0e-48
0.275
MAR-TRE-d3c2bf0e-38
0.275
MAR-TRE-4f39ef4a-72
0.273
MAR-TRE-d3c2bf0e-11
0.269
MAR-TRE-4f39ef4a-35
0.268
MAR-TRE-d3c2bf0e-36
0.267
MAR-TRE-4f39ef4a-59
0.264
MAR-TRE-4f39ef4a-68
0.259
MAR-TRE-4f39ef4a-67
0.259
MAR-TRE-4f39ef4a-28
0.258
MAR-TRE-d3c2bf0e-72
0.256
MAR-TRE-d3c2bf0e-39
0.255
MAR-TRE-4f39ef4a-53
0.255
MAR-TRE-4f39ef4a-86
0.255
MAR-TRE-4f39ef4a-88
0.255
MAR-TRE-4f39ef4a-90
0.254
MAR-TRE-4f39ef4a-74
0.254
MAR-TRE-4f39ef4a-18
0.254
MAR-TRE-d3c2bf0e-75
0.250
MAR-TRE-d3c2bf0e-33
0.250
MAR-TRE-d3c2bf0e-35
0.250
MAR-TRE-4f39ef4a-82
0.246
MAR-TRE-d3c2bf0e-53
0.245
MAR-TRE-d3c2bf0e-61
0.244
MAR-TRE-4f39ef4a-44
0.241
MAR-TRE-4f39ef4a-66
0.241
MAR-TRE-4f39ef4a-78
0.241
MAR-TRE-4f39ef4a-80
0.241
MAR-TRE-4f39ef4a-89
0.241
MAR-TRE-4f39ef4a-6
0.237
MAR-TRE-4f39ef4a-71
0.236
MAR-TRE-d3c2bf0e-1
0.235
MAR-TRE-4f39ef4a-61
0.232
MAR-TRE-d3c2bf0e-3
0.231
MAR-TRE-d3c2bf0e-47
0.229
MAR-TRE-d3c2bf0e-12
0.228
MAR-TRE-4f39ef4a-62
0.228
MAR-TRE-4f39ef4a-52
0.226
MAR-TRE-4f39ef4a-9
0.225
MAR-TRE-d3c2bf0e-21
0.224
MAR-TRE-4f39ef4a-32
0.224
MAR-TRE-4f39ef4a-40
0.224
MAR-TRE-4f39ef4a-24
0.222
MAR-TRE-4f39ef4a-83
0.222
MAR-TRE-4f39ef4a-87
0.222
MAR-TRE-4f39ef4a-45
0.222
MAR-TRE-4f39ef4a-48
0.220
MAR-TRE-4f39ef4a-54
0.220
MAR-TRE-d3c2bf0e-13
0.220
MAR-TRE-d3c2bf0e-56
0.220
MAR-TRE-4f39ef4a-37
0.219
MAR-TRE-4f39ef4a-5
0.217
MAR-TRE-4f39ef4a-27
0.213
MAR-TRE-4f39ef4a-41
0.213
MAR-TRE-4f39ef4a-11
0.213
MAR-TRE-4f39ef4a-21
0.213
MAR-TRE-d3c2bf0e-5
0.212
MAR-TRE-d3c2bf0e-62
0.212
MAR-TRE-4f39ef4a-51
0.211