Molecular Properties | |
SMILES: | FC(F)(F)COc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1 |
MW: | 340.07 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 41.79 |
cLogP: | 3.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
quaternary nitrogen
Thiols
Filter74_thiol
thiols
thiol
thioles_(not_aromatic)
MAR-TRE-143fb005-19
0.667
MAR-TRE-143fb005-30
0.667
MAR-TRE-143fb005-12
0.658
MAR-TRE-143fb005-4
0.622
MAR-TRE-143fb005-14
0.562
MAR-TRE-143fb005-17
0.531
MAR-TRE-143fb005-20
0.524
MAR-TRE-143fb005-29
0.463
MAR-TRE-143fb005-22
0.443
MAR-TRE-143fb005-31
0.438
MAR-TRE-143fb005-25
0.438
MAR-TRE-143fb005-24
0.427
MAR-TRE-143fb005-37
0.425
MAR-TRE-143fb005-3
0.417
MAR-TRE-143fb005-28
0.404
MAR-TRE-143fb005-6
0.400
MAR-TRE-143fb005-13
0.400
MAR-TRE-143fb005-34
0.393
MAR-TRE-143fb005-8
0.376
MAR-TRE-143fb005-10
0.366
MAR-TRE-143fb005-11
0.366
MAR-TRE-143fb005-2
0.360
MAR-TRE-143fb005-21
0.347
MAR-TRE-143fb005-23
0.293
MAR-TRE-143fb005-18
0.289
MAR-TRE-143fb005-35
0.289
MAR-TRE-143fb005-27
0.283
MAR-TRE-143fb005-36
0.283
MAR-TRE-143fb005-15
0.283
MAR-TRE-143fb005-9
0.277
AAR-POS-0daf6b7e-39
0.273
MAR-TRE-143fb005-5
0.267
MAR-TRE-143fb005-26
0.267
MAR-TRE-ebcc4ad6-45
0.266
MAK-UNK-3ae66343-1
0.265
MAR-TRE-143fb005-7
0.262
MAR-TRE-143fb005-39
0.257
MAR-TRE-1c920f6f-61
0.255
MAR-TRE-143fb005-1
0.252
MAR-TRE-143fb005-32
0.248
MAR-TRE-87acfbcc-73
0.247
MAR-TRE-8a25d817-28
0.244
MAR-TRE-14ce9fd6-30
0.244
MAR-TRE-d3c2bf0e-16
0.244
ALP-UNI-ed5cdfd2-7
0.242
SWA-SYN-40d44a84-4
0.242
MAR-TRE-143fb005-33
0.240
SAD-SAT-f0a2747f-6
0.239
MAR-TRE-423310b6-61
0.239
AAR-UNI-c25c2f1e-83
0.238
SWA-SYN-40d44a84-1
0.237
ALP-POS-ddb41b15-9
0.236
MAR-TRE-14ce9fd6-40
0.235
MAK-UNK-3ae66343-2
0.235
ALP-UNI-ed5cdfd2-2
0.233
AAR-POS-0daf6b7e-25
0.233
SWA-SYN-40d44a84-5
0.231
AAR-UNI-c25c2f1e-44
0.231
MAK-UNK-1bb0b7ee-9
0.230
CAS-DEP-751a2458-2
0.230
MAR-TRE-143fb005-38
0.229
MAR-TRE-aca67d11-41
0.227
ALP-UNI-ed5cdfd2-1
0.226
GAB-REV-4a4e2ff3-3
0.220
AAR-UNI-c25c2f1e-58
0.220
AAR-UNI-c25c2f1e-41
0.220
MAR-TRE-36bf7dba-66
0.220
MAK-UNK-1bb0b7ee-5
0.218
SEB-HKI-06b43755-1
0.218
RED-RED-10c9212c-19
0.217
ALP-UNI-ed5cdfd2-3
0.217
MAK-UNK-1ac43cfa-1
0.215
AAR-UNI-c25c2f1e-57
0.215
ALP-POS-3fc1724e-8
0.212
GAB-REV-70cc3ca5-9
0.212
ALP-POS-a30bcdb4-2
0.211
MAT-POS-90fd5f68-5
0.211
MAR-TRE-1c920f6f-65
0.210
JAR-KUA-672ec752-12
0.208
MAK-UNK-a7992eb3-19
0.208
MAK-UNK-1bb0b7ee-12
0.208
WIL-UNI-d4749f31-37
0.208
ALP-POS-a30bcdb4-1
0.205
AAR-UNI-c25c2f1e-52
0.204
MAT-POS-90fd5f68-23
0.202
MAR-TRE-9d18ae8c-20
0.198
ALP-POS-ced8ea4d-18
0.194
RED-RED-10c9212c-55
0.193
MAR-TRE-9d18ae8c-12
0.190
MAK-UNK-1bb0b7ee-14
0.190
BRU-THA-92256091-63
0.188
MAR-LAB-ff9967db-12
0.188
MAK-UNK-a7992eb3-25
0.186
MAK-UNK-a7992eb3-12
0.185
ALP-POS-e980f4ea-18
0.185
COM-UCB-8c7d23dc-2
0.183
ERI-UCB-a0b0dbcb-4
0.183
JAG-UCB-c61058a9-37
0.181
BAR-COM-4e090d3a-22
0.181
MAT-POS-162a9720-10
0.180