Molecular Properties | |
SMILES: | CCC(CCN)n1ccn(C(CC)CCN)c1=[Au+]Cl |
MW: | 470.15 |
Fraction sp3: | 0.77 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 61.9 |
cLogP: | 2.66 |
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-22
0.383
MAR-TRE-d3c2bf0e-26
0.375
MAR-TRE-d3c2bf0e-80
0.360
MAR-TRE-d3c2bf0e-74
0.327
MAR-TRE-d3c2bf0e-14
0.327
MAR-TRE-d3c2bf0e-71
0.327
MAR-TRE-d3c2bf0e-43
0.320
MAR-TRE-d3c2bf0e-25
0.319
MAR-TRE-d3c2bf0e-56
0.315
MAR-TRE-d3c2bf0e-50
0.308
MAR-TRE-d3c2bf0e-28
0.308
MAR-TRE-d3c2bf0e-30
0.308
MAR-TRE-d3c2bf0e-46
0.308
MAR-TRE-d3c2bf0e-44
0.306
MAR-TRE-d3c2bf0e-35
0.300
MAR-TRE-d3c2bf0e-40
0.300
MAR-TRE-d3c2bf0e-33
0.296
MAR-TRE-d3c2bf0e-60
0.296
MAR-TRE-d3c2bf0e-11
0.288
MAR-TRE-d3c2bf0e-82
0.286
MAR-TRE-d3c2bf0e-45
0.278
MAR-TRE-4f39ef4a-86
0.274
MAR-TRE-4f39ef4a-90
0.273
MAR-TRE-4f39ef4a-76
0.266
MAR-TRE-4f39ef4a-78
0.262
MAR-TRE-4f39ef4a-89
0.262
MAR-TRE-d3c2bf0e-58
0.260
MAR-TRE-d3c2bf0e-5
0.259
MAR-TRE-4f39ef4a-67
0.258
MAR-TRE-4f39ef4a-68
0.258
MAR-TRE-d3c2bf0e-39
0.254
MAR-TRE-d3c2bf0e-12
0.250
MAR-TRE-d3c2bf0e-65
0.250
MAR-TRE-d3c2bf0e-57
0.250
MAR-TRE-4f39ef4a-62
0.250
MAR-TRE-4f39ef4a-35
0.246
MAR-TRE-d3c2bf0e-38
0.245
MAR-TRE-d3c2bf0e-48
0.245
MAR-TRE-d3c2bf0e-78
0.244
MAR-TRE-4f39ef4a-29
0.243
MAR-TRE-4f39ef4a-44
0.242
MAR-TRE-d3c2bf0e-6
0.242
MAR-TRE-4f39ef4a-66
0.242
MAR-TRE-d3c2bf0e-52
0.236
MAR-TRE-d3c2bf0e-67
0.235
MAR-TRE-4f39ef4a-11
0.235
MAR-TRE-4f39ef4a-21
0.235
MAR-TRE-4f39ef4a-61
0.234
MAR-TRE-4f39ef4a-88
0.234
MAR-TRE-4f39ef4a-10
0.232
MAR-TRE-d3c2bf0e-72
0.229
MAR-TRE-d3c2bf0e-18
0.229
MAR-TRE-4f39ef4a-52
0.229
MAR-TRE-4f39ef4a-13
0.229
MAR-TRE-4f39ef4a-40
0.227
MAR-TRE-4f39ef4a-32
0.227
MAR-TRE-4f39ef4a-83
0.225
MAR-TRE-4f39ef4a-24
0.225
MAR-TRE-d3c2bf0e-37
0.224
MAR-TRE-d3c2bf0e-63
0.224
MAR-TRE-4f39ef4a-48
0.224
MAR-TRE-4f39ef4a-54
0.224
MAR-TRE-4f39ef4a-43
0.222
MAR-TRE-4f39ef4a-59
0.222
MAR-TRE-4f39ef4a-6
0.221
MAR-TRE-d3c2bf0e-34
0.220
MAR-TRE-d3c2bf0e-2
0.219
MAR-TRE-d3c2bf0e-15
0.218
MAR-TRE-d3c2bf0e-62
0.217
MAR-TRE-d3c2bf0e-76
0.216
MAR-TRE-4f39ef4a-36
0.215
MAR-TRE-d3c2bf0e-41
0.214
MAR-TRE-d3c2bf0e-24
0.213
MAR-TRE-4f39ef4a-9
0.212
MAR-TRE-4f39ef4a-82
0.211
MAR-TRE-4f39ef4a-30
0.211
MAR-TRE-d3c2bf0e-59
0.211
MAR-TRE-d3c2bf0e-70
0.211
MAR-TRE-d3c2bf0e-73
0.211
MAR-TRE-d3c2bf0e-49
0.208
MAR-TRE-d3c2bf0e-81
0.208
MAR-TRE-d3c2bf0e-75
0.207
MAR-TRE-d3c2bf0e-31
0.207
MAR-TRE-d3c2bf0e-8
0.207
MAR-TRE-4f39ef4a-87
0.206
MAR-TRE-d3c2bf0e-68
0.206
MAR-TRE-4f39ef4a-14
0.206
MAR-TRE-4f39ef4a-5
0.205
MAR-TRE-d3c2bf0e-55
0.203
MAR-TRE-d3c2bf0e-10
0.203
MAR-TRE-4f39ef4a-39
0.203
MAR-TRE-4f39ef4a-18
0.203
MAR-TRE-d3c2bf0e-66
0.200
MAR-TRE-4f39ef4a-74
0.200
MAR-TRE-4f39ef4a-58
0.200
MAR-TRE-d3c2bf0e-77
0.200
MAR-TRE-d3c2bf0e-79
0.200
MAR-TRE-4f39ef4a-33
0.197
MAR-TRE-d3c2bf0e-54
0.197
MAR-TRE-d3c2bf0e-64
0.197