Molecular Properties | |
SMILES: | Oc1cc(Cn2ccn(Cc3cc(O)no3)c2=[Au+]Cl)on1 |
MW: | 494.01 |
Fraction sp3: | 0.18 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 102.38 |
cLogP: | 1.54 |
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-4f39ef4a-70
0.694
MAR-TRE-d3c2bf0e-41
0.431
MAR-TRE-d3c2bf0e-59
0.345
MAR-TRE-d3c2bf0e-31
0.339
MAR-TRE-d3c2bf0e-57
0.339
MAR-TRE-d3c2bf0e-2
0.339
MAR-TRE-d3c2bf0e-66
0.339
MAR-TRE-d3c2bf0e-55
0.333
MAR-TRE-d3c2bf0e-70
0.321
MAR-TRE-d3c2bf0e-27
0.317
MAR-TRE-d3c2bf0e-69
0.311
MAR-TRE-d3c2bf0e-68
0.306
MAR-TRE-d3c2bf0e-63
0.300
MAR-TRE-d3c2bf0e-37
0.300
MAR-TRE-d3c2bf0e-16
0.292
MAR-TRE-d3c2bf0e-76
0.288
MAR-TRE-d3c2bf0e-7
0.286
MAR-TRE-87acfbcc-33
0.281
MAR-TRE-d3c2bf0e-10
0.281
MAR-TRE-d3c2bf0e-72
0.280
MAR-TRE-d3c2bf0e-1
0.279
MAR-TRE-d3c2bf0e-47
0.276
MAR-TRE-d3c2bf0e-3
0.274
MAR-TRE-d3c2bf0e-65
0.273
MAR-TRE-423310b6-50
0.273
MAR-TRE-4f39ef4a-33
0.268
MAR-TRE-d3c2bf0e-36
0.263
MAR-TRE-d3c2bf0e-79
0.262
MAR-TRE-d3c2bf0e-34
0.262
MAR-TRE-d3c2bf0e-82
0.259
MAR-TRE-d3c2bf0e-52
0.259
MAR-TRE-d3c2bf0e-73
0.254
MAR-TRE-d3c2bf0e-29
0.254
MAR-TRE-d3c2bf0e-38
0.245
MAR-TRE-4f39ef4a-55
0.243
MAR-TRE-d3c2bf0e-42
0.242
MAR-TRE-4f39ef4a-20
0.239
MAR-TRE-d3c2bf0e-62
0.238
MAR-TRE-d3c2bf0e-64
0.238
MAR-TRE-4f39ef4a-41
0.236
MAR-TRE-4f39ef4a-58
0.236
MAR-TRE-4f39ef4a-12
0.235
MAR-TRE-d3c2bf0e-17
0.234
MAR-TRE-4f39ef4a-16
0.234
MAR-TRE-d3c2bf0e-23
0.233
MAR-TRE-d3c2bf0e-44
0.232
MAR-TRE-4f39ef4a-23
0.232
MAR-TRE-d3c2bf0e-75
0.230
MAR-TRE-d3c2bf0e-21
0.230
MAR-TRE-d3c2bf0e-22
0.228
MAR-TRE-d3c2bf0e-40
0.228
MAR-TRE-4f39ef4a-87
0.227
MAR-TRE-d3c2bf0e-26
0.224
MAR-TRE-d3c2bf0e-77
0.224
MAR-TRE-d3c2bf0e-48
0.222
MAR-TRE-4f39ef4a-6
0.222
MAR-TRE-4f39ef4a-39
0.221
MAR-TRE-d3c2bf0e-51
0.221
MAR-TRE-d3c2bf0e-78
0.220
MAR-TRE-d3c2bf0e-54
0.217
MAR-TRE-4f39ef4a-88
0.217
MAR-TRE-d3c2bf0e-28
0.217
MAR-TRE-d3c2bf0e-46
0.217
MAR-TRE-d3c2bf0e-24
0.215
MAR-TRE-d3c2bf0e-9
0.214
MAR-TRE-d3c2bf0e-12
0.214
MAR-TRE-d3c2bf0e-58
0.214
MAR-TRE-d3c2bf0e-67
0.214
MAR-TRE-4f39ef4a-13
0.213
MAR-TRE-d3c2bf0e-45
0.213
MAR-TRE-4f39ef4a-35
0.211
MAR-TRE-4f39ef4a-40
0.211
MAR-TRE-4f39ef4a-32
0.211
MAR-TRE-d3c2bf0e-81
0.211
MAR-TRE-d3c2bf0e-49
0.211
MAR-TRE-4f39ef4a-24
0.211
MAR-TRE-4f39ef4a-25
0.210
MAR-TRE-d3c2bf0e-8
0.210
MAR-TRE-d3c2bf0e-53
0.209
MAR-TRE-4f39ef4a-48
0.208
MAR-TRE-4f39ef4a-54
0.208
MAR-TRE-4f39ef4a-22
0.208
MAR-TRE-d3c2bf0e-18
0.208
MAR-TRE-d3c2bf0e-14
0.207
MAR-TRE-d3c2bf0e-56
0.206
MAR-TRE-4f39ef4a-80
0.206
MAR-TRE-4f39ef4a-43
0.206
MAR-TRE-4f39ef4a-18
0.205
MAR-TRE-d3c2bf0e-43
0.203
MAR-TRE-4f39ef4a-21
0.203
MAR-TRE-4f39ef4a-11
0.203
MAR-TRE-d3c2bf0e-15
0.200
MAR-TRE-4f39ef4a-10
0.200
MAR-TRE-4f39ef4a-30
0.197
MAR-TRE-4f39ef4a-8
0.197
MAR-TRE-4f39ef4a-72
0.197
MAR-TRE-4f39ef4a-53
0.197
MAR-TRE-4f39ef4a-73
0.197
MAR-TRE-4f39ef4a-60
0.197
MAR-TRE-d3c2bf0e-80
0.197