Molecular Properties | |
SMILES: | CC(C)(CO)n1ccn(C(C)(C)CO)c1=[Au+]Cl |
MW: | 444.09 |
Fraction sp3: | 0.73 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 50.32 |
cLogP: | 1.51 |
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-48
0.556
MAR-TRE-d3c2bf0e-18
0.459
MAR-TRE-d3c2bf0e-15
0.319
MAR-TRE-d3c2bf0e-58
0.318
MAR-TRE-d3c2bf0e-81
0.311
MAR-TRE-d3c2bf0e-37
0.310
MAR-TRE-4f39ef4a-80
0.309
MAR-TRE-d3c2bf0e-73
0.306
MAR-TRE-d3c2bf0e-76
0.295
MAR-TRE-d3c2bf0e-56
0.294
MAR-TRE-d3c2bf0e-67
0.289
MAR-TRE-d3c2bf0e-59
0.280
MAR-TRE-d3c2bf0e-63
0.279
MAR-TRE-d3c2bf0e-14
0.277
MAR-TRE-d3c2bf0e-65
0.277
MAR-TRE-d3c2bf0e-22
0.277
MAR-TRE-d3c2bf0e-78
0.275
MAR-TRE-4f39ef4a-41
0.274
MAR-TRE-d3c2bf0e-43
0.271
MAR-TRE-d3c2bf0e-26
0.271
MAR-TRE-d3c2bf0e-77
0.271
MAR-TRE-d3c2bf0e-25
0.267
MAR-TRE-4f39ef4a-55
0.262
MAR-TRE-d3c2bf0e-28
0.260
MAR-TRE-d3c2bf0e-52
0.260
MAR-TRE-d3c2bf0e-80
0.260
MAR-TRE-d3c2bf0e-50
0.260
MAR-TRE-d3c2bf0e-46
0.260
MAR-TRE-4f39ef4a-22
0.258
MAR-TRE-d3c2bf0e-72
0.256
MAR-TRE-d3c2bf0e-44
0.255
MAR-TRE-d3c2bf0e-49
0.255
MAR-TRE-d3c2bf0e-45
0.255
MAR-TRE-d3c2bf0e-74
0.255
MAR-TRE-d3c2bf0e-60
0.250
MAR-TRE-d3c2bf0e-71
0.250
MAR-TRE-d3c2bf0e-8
0.250
MAR-TRE-d3c2bf0e-33
0.250
MAR-TRE-d3c2bf0e-40
0.250
MAR-TRE-4f39ef4a-87
0.246
MAR-TRE-4f39ef4a-75
0.246
MAR-TRE-d3c2bf0e-13
0.245
MAR-TRE-d3c2bf0e-61
0.245
MAR-TRE-4f39ef4a-43
0.241
MAR-TRE-d3c2bf0e-42
0.241
MAR-TRE-d3c2bf0e-79
0.241
MAR-TRE-d3c2bf0e-36
0.240
MAR-TRE-d3c2bf0e-2
0.237
MAR-TRE-d3c2bf0e-27
0.237
MAR-TRE-d3c2bf0e-51
0.237
MAR-TRE-4f39ef4a-70
0.237
MAR-TRE-4f39ef4a-3
0.236
MAR-TRE-d3c2bf0e-41
0.235
MAR-TRE-d3c2bf0e-9
0.234
MAR-TRE-d3c2bf0e-82
0.234
MAR-TRE-4f39ef4a-61
0.233
MAR-TRE-d3c2bf0e-29
0.232
AMI-CSI-2ea5bed6-6
0.232
MAR-TRE-4f39ef4a-53
0.232
MAR-TRE-d3c2bf0e-4
0.231
MAR-TRE-d3c2bf0e-70
0.231
MAR-TRE-d3c2bf0e-47
0.231
MAR-TRE-4f39ef4a-69
0.230
MAR-TRE-4f39ef4a-72
0.230
MAR-TRE-4f39ef4a-62
0.230
MAR-TRE-d3c2bf0e-31
0.226
MAR-TRE-d3c2bf0e-57
0.226
MAR-TRE-4f39ef4a-35
0.226
MAR-TRE-4f39ef4a-76
0.226
MAR-TRE-d3c2bf0e-35
0.224
MAR-TRE-d3c2bf0e-11
0.224
MAR-TRE-4f39ef4a-56
0.222
MAR-TRE-4f39ef4a-89
0.220
MAR-TRE-4f39ef4a-59
0.220
MAR-TRE-4f39ef4a-78
0.220
MAR-TRE-4f39ef4a-68
0.219
MAR-TRE-4f39ef4a-18
0.217
MAR-TRE-d3c2bf0e-66
0.217
MAR-TRE-4f39ef4a-71
0.217
MAR-TRE-4f39ef4a-7
0.216
MAR-TRE-4f39ef4a-11
0.215
MAR-TRE-4f39ef4a-85
0.215
MAR-TRE-d3c2bf0e-64
0.214
MAR-TRE-d3c2bf0e-5
0.214
MAR-TRE-d3c2bf0e-62
0.214
MAR-TRE-d3c2bf0e-1
0.214
MAR-TRE-4f39ef4a-36
0.213
MAR-TRE-4f39ef4a-12
0.213
MAR-TRE-4f39ef4a-86
0.213
MAR-TRE-4f39ef4a-88
0.213
MAR-TRE-4f39ef4a-33
0.212
MAR-TRE-d3c2bf0e-30
0.212
MAR-TRE-d3c2bf0e-17
0.211
MAR-TRE-d3c2bf0e-3
0.211
MAR-TRE-d3c2bf0e-39
0.211
MAR-TRE-4f39ef4a-77
0.210
MAR-TRE-4f39ef4a-81
0.210
MAR-TRE-d3c2bf0e-12
0.210
MAR-TRE-4f39ef4a-23
0.210
MAR-TRE-d3c2bf0e-20
0.208