Molecular Properties | |
SMILES: | Cl[Au+]=c1n(Cc2ccco2)ccn1Cc1ccco1 |
MW: | 460.02 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 36.14 |
cLogP: | 3.34 |
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-13
0.431
MAR-TRE-d3c2bf0e-57
0.385
MAR-TRE-d3c2bf0e-55
0.377
MAR-TRE-d3c2bf0e-59
0.365
MAR-TRE-d3c2bf0e-70
0.365
MAR-TRE-d3c2bf0e-68
0.345
MAT-POS-162a9720-12
0.333
MAR-TRE-d3c2bf0e-27
0.333
MAR-TRE-d3c2bf0e-31
0.333
MAR-TRE-d3c2bf0e-16
0.328
MAR-TRE-d3c2bf0e-69
0.328
MAK-UNK-7c9d1431-28
0.322
MAR-TRE-d3c2bf0e-66
0.311
MAR-TRE-d3c2bf0e-34
0.298
MAR-TRE-d3c2bf0e-72
0.298
MAR-TRE-d3c2bf0e-10
0.295
MAR-TRE-d3c2bf0e-63
0.292
MAR-TRE-d3c2bf0e-37
0.292
MAR-TRE-4f39ef4a-70
0.290
MAR-TRE-d3c2bf0e-2
0.290
MAR-TRE-d3c2bf0e-76
0.280
MAR-TRE-7f7bb9f0-35
0.279
MAR-TRE-d3c2bf0e-7
0.279
MAR-TRE-d3c2bf0e-82
0.275
MAR-TRE-d3c2bf0e-62
0.271
MAR-TRE-d3c2bf0e-47
0.268
MAR-TRE-6a44bbf2-40
0.268
MAR-TRE-d3c2bf0e-65
0.264
MAR-TRE-d3c2bf0e-75
0.263
MAR-TRE-d3c2bf0e-36
0.255
MAR-TRE-d3c2bf0e-79
0.254
MAR-TRE-d3c2bf0e-52
0.250
MAR-TRE-d3c2bf0e-51
0.250
MAR-TRE-d3c2bf0e-64
0.250
MAR-TRE-d3c2bf0e-54
0.246
MAR-TRE-d3c2bf0e-3
0.246
MAR-TRE-d3c2bf0e-29
0.246
TIA-UNK-70c9651e-1
0.246
MAR-TRE-d3c2bf0e-23
0.246
MAR-TRE-d3c2bf0e-73
0.246
MAR-TRE-fd17a9b8-74
0.243
MAR-TRE-d3c2bf0e-21
0.241
MAR-TRE-d3c2bf0e-33
0.241
MAR-TRE-d3c2bf0e-38
0.235
MAR-TRE-423310b6-65
0.234
MAR-TRE-d3c2bf0e-42
0.233
JAR-KUA-672ec752-8
0.230
MAR-TRE-d3c2bf0e-1
0.230
MAR-TRE-4f39ef4a-58
0.229
MAR-TRE-4b834d9a-29
0.228
MAR-TRE-d3c2bf0e-46
0.228
MAR-TRE-9c797165-8
0.227
MAR-TRE-d3c2bf0e-67
0.226
MAR-TRE-d3c2bf0e-58
0.226
MAR-TRE-d3c2bf0e-17
0.226
MAR-TRE-d3c2bf0e-24
0.226
AAR-POS-0daf6b7e-36
0.226
MAR-TRE-4f39ef4a-33
0.225
MAT-POS-b5746674-3
0.225
MAR-TRE-87acfbcc-3
0.221
MAR-TRE-4f39ef4a-87
0.219
MAR-TRE-d3c2bf0e-11
0.219
MAR-TRE-fd17a9b8-68
0.216
UNK-UNK-2ede4078-2
0.215
MAR-TRE-4f39ef4a-20
0.214
MAR-TRE-d3c2bf0e-77
0.214
MAR-TRE-d3c2bf0e-61
0.214
MAR-TRE-aca67d11-33
0.214
MAR-TRE-d3c2bf0e-19
0.213
KEI-TRE-d5e2018a-83
0.212
MAR-TRE-d3c2bf0e-48
0.212
MAR-TRE-4f39ef4a-88
0.209
MAR-TRE-d3c2bf0e-78
0.208
MAR-TRE-87acfbcc-1
0.207
MAR-TRE-d3c2bf0e-80
0.207
MAR-TRE-4b834d9a-1
0.207
MAR-TRE-d3c2bf0e-39
0.206
MAR-TRE-6c5ef77a-53
0.206
MAR-TRE-4f39ef4a-23
0.206
LON-WEI-5e7d1b3e-44
0.205
LON-WEI-4d77710c-44
0.205
MAR-TRE-67513f76-87
0.203
UNK-UNK-2ede4078-36
0.202
MAR-TRE-d3c2bf0e-8
0.200
MAR-TRE-d3c2bf0e-49
0.200
MAR-TRE-d3c2bf0e-44
0.200
MAR-TRE-d3c2bf0e-81
0.200
MAR-TRE-3159af1a-28
0.198
MAR-TRE-4f39ef4a-39
0.197
MAR-TRE-d3c2bf0e-32
0.197
MAR-TRE-d3c2bf0e-14
0.196
MAR-TRE-d3c2bf0e-22
0.196
MAR-TRE-d3c2bf0e-18
0.196
UNK-UNK-2ede4078-49
0.195
MAR-TRE-4f39ef4a-16
0.195
MAR-TRE-74c6519b-40
0.194
MAR-TRE-d3c2bf0e-26
0.193
MAR-TRE-d3c2bf0e-43
0.193
MAR-TRE-4f39ef4a-10
0.192
MAR-TRE-4f39ef4a-12
0.191