Molecular Properties | |
SMILES: | Cl[Au+]=c1n(Cc2nc3ccccc3[nH]2)ccn1Cc1nc2ccccc2[nH]1 |
MW: | 560.08 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 67.22 |
cLogP: | 3.91 |
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
SAD-SAT-f0a2747f-6
0.414
AAR-POS-0daf6b7e-39
0.407
MAR-TRE-ebcc4ad6-45
0.393
MAR-TRE-8a25d817-28
0.366
MAK-UNK-3ae66343-1
0.364
MAR-TRE-d3c2bf0e-57
0.361
MAR-TRE-423310b6-61
0.356
MAR-TRE-14ce9fd6-30
0.353
MAR-TRE-87acfbcc-73
0.352
MAR-TRE-aca67d11-41
0.351
MAR-TRE-d3c2bf0e-55
0.333
MAR-TRE-d3c2bf0e-41
0.328
MAR-TRE-d3c2bf0e-70
0.323
MAR-TRE-14ce9fd6-40
0.306
AAR-UNI-c25c2f1e-58
0.305
MAR-TRE-36bf7dba-66
0.305
MAR-TRE-d3c2bf0e-59
0.302
AAR-UNI-c25c2f1e-52
0.298
GAB-REV-70cc3ca5-9
0.296
MAR-TRE-d3c2bf0e-13
0.292
MAR-TRE-d3c2bf0e-68
0.290
AAR-UNI-c25c2f1e-41
0.289
ALP-UNI-ed5cdfd2-7
0.286
MAK-UNK-3ae66343-2
0.286
MAR-TRE-1c920f6f-61
0.286
SWA-SYN-40d44a84-1
0.282
AAR-POS-0daf6b7e-25
0.282
RED-RED-10c9212c-19
0.281
MAR-TRE-d3c2bf0e-63
0.281
AAR-UNI-c25c2f1e-57
0.278
MAR-TRE-d3c2bf0e-31
0.277
MAR-TRE-d3c2bf0e-69
0.275
SEB-HKI-06b43755-1
0.271
MAR-TRE-143fb005-30
0.266
MAR-TRE-d3c2bf0e-62
0.265
MAR-TRE-d3c2bf0e-2
0.264
MAR-TRE-d3c2bf0e-27
0.264
MAR-TRE-d3c2bf0e-66
0.264
AAR-UNI-c25c2f1e-83
0.264
MAR-TRE-1c920f6f-65
0.262
CAS-DEP-751a2458-2
0.260
SWA-SYN-40d44a84-5
0.260
SWA-SYN-40d44a84-4
0.256
GAB-REV-4a4e2ff3-3
0.255
MAR-TRE-143fb005-37
0.253
MAK-UNK-1ac43cfa-1
0.250
MAR-TRE-143fb005-25
0.250
MAR-TRE-143fb005-31
0.250
JAR-KUA-672ec752-12
0.247
MAR-TRE-143fb005-16
0.244
MAR-TRE-143fb005-29
0.244
MAR-TRE-143fb005-34
0.244
MAK-UNK-1bb0b7ee-9
0.241
MAR-TRE-d3c2bf0e-72
0.241
COM-UCB-1ef4e90e-3
0.239
MAR-TRE-d3c2bf0e-37
0.237
RED-RED-10c9212c-55
0.237
MAR-TRE-143fb005-19
0.236
MAR-TRE-d3c2bf0e-36
0.231
MAR-TRE-9d18ae8c-20
0.231
MAK-UNK-1bb0b7ee-12
0.230
MAR-TRE-d3c2bf0e-76
0.230
MAK-UNK-b1d4dcd7-1
0.228
MAK-UNK-1bb0b7ee-5
0.227
MAR-TRE-d3c2bf0e-82
0.226
COM-UCB-8c7d23dc-2
0.226
MAR-TRE-d3c2bf0e-29
0.225
MAR-TRE-143fb005-17
0.225
MAR-TRE-d3c2bf0e-23
0.224
MAR-TRE-143fb005-14
0.222
MAR-TRE-143fb005-20
0.222
MAR-TRE-143fb005-28
0.222
MAR-TRE-d3c2bf0e-75
0.221
MAR-TRE-d3c2bf0e-21
0.221
MAR-TRE-d3c2bf0e-33
0.221
MAR-TRE-143fb005-13
0.220
MAR-TRE-d3c2bf0e-65
0.219
ALP-UNI-ed5cdfd2-2
0.217
MAR-TRE-143fb005-24
0.217
MAT-POS-162a9720-10
0.216
MAR-TRE-d3c2bf0e-10
0.216
WIL-UNI-d4749f31-37
0.216
AAR-UNI-c25c2f1e-44
0.215
MAK-UNK-a7992eb3-19
0.215
MAK-UNK-1bb0b7ee-15
0.215
MAR-TRE-d3c2bf0e-32
0.214
MAR-TRE-d3c2bf0e-79
0.214
MAR-TRE-d3c2bf0e-34
0.214
MAR-TRE-4f39ef4a-70
0.213
MAR-TRE-d3c2bf0e-51
0.213
ALP-POS-a30bcdb4-1
0.212
MAK-UNK-a7992eb3-12
0.212
MAR-TRE-d3c2bf0e-54
0.211
ALP-UNI-ed5cdfd2-1
0.211
ALP-POS-ddb41b15-9
0.210
MAR-TRE-4f39ef4a-33
0.210
MAR-TRE-d3c2bf0e-52
0.209
MAR-TRE-9d18ae8c-12
0.209
MAR-TRE-d3c2bf0e-17
0.208
MAR-TRE-d3c2bf0e-3
0.208