Molecular Properties | |
SMILES: | COc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1C |
MW: | 286.1 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 41.79 |
cLogP: | 2.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
quaternary nitrogen
Thiols
Filter74_thiol
thiols
thiol
thioles_(not_aromatic)
MAR-TRE-143fb005-31
0.714
MAR-TRE-143fb005-13
0.700
MAR-TRE-143fb005-17
0.696
MAR-TRE-143fb005-37
0.646
MAR-TRE-143fb005-15
0.632
MAR-TRE-143fb005-20
0.595
MAR-TRE-143fb005-28
0.595
MAR-TRE-143fb005-5
0.571
MAR-TRE-143fb005-34
0.571
MAR-TRE-143fb005-29
0.549
MAR-TRE-143fb005-30
0.543
MAR-TRE-143fb005-10
0.481
MAR-TRE-143fb005-7
0.464
MAR-TRE-143fb005-19
0.457
MAR-TRE-143fb005-24
0.446
MAR-TRE-143fb005-27
0.442
MAR-TRE-143fb005-14
0.439
MAR-TRE-143fb005-16
0.438
MAR-TRE-143fb005-1
0.419
MAR-TRE-143fb005-21
0.418
MAR-TRE-143fb005-26
0.407
MAR-TRE-143fb005-36
0.405
MAR-TRE-143fb005-11
0.379
MAR-TRE-143fb005-35
0.372
MAR-TRE-143fb005-39
0.364
MAR-TRE-143fb005-33
0.349
MAR-TRE-143fb005-22
0.338
MAR-TRE-143fb005-23
0.333
MAR-TRE-143fb005-38
0.326
MAR-TRE-143fb005-32
0.322
MAR-TRE-143fb005-9
0.312
MAR-TRE-143fb005-18
0.311
MAR-TRE-143fb005-6
0.308
AAR-POS-0daf6b7e-39
0.300
MAR-TRE-143fb005-12
0.293
MAK-UNK-3ae66343-1
0.289
MAK-UNK-3ae66343-2
0.289
MAR-TRE-143fb005-8
0.287
MAR-TRE-ebcc4ad6-45
0.274
CAS-DEP-751a2458-2
0.266
MAR-TRE-143fb005-3
0.265
ALP-POS-ddb41b15-9
0.265
SWA-SYN-40d44a84-4
0.262
ALP-UNI-ed5cdfd2-1
0.255
AAR-POS-0daf6b7e-25
0.253
JAR-KUA-672ec752-12
0.253
MAR-TRE-143fb005-2
0.252
MAR-TRE-14ce9fd6-30
0.250
MAK-UNK-1bb0b7ee-12
0.250
MAR-TRE-d3c2bf0e-16
0.250
MAR-TRE-143fb005-4
0.248
MAR-TRE-1c920f6f-61
0.247
MAR-TRE-423310b6-61
0.244
GAB-REV-70cc3ca5-9
0.242
MAR-TRE-87acfbcc-73
0.238
MAR-TRE-8a25d817-28
0.235
GAB-REV-4a4e2ff3-3
0.235
SWA-SYN-40d44a84-5
0.235
AAR-UNI-c25c2f1e-44
0.235
SEB-HKI-06b43755-1
0.234
MAK-UNK-1bb0b7ee-9
0.234
SAD-SAT-f0a2747f-6
0.230
SWA-SYN-40d44a84-1
0.227
MAR-TRE-1c920f6f-65
0.226
ALP-UNI-ed5cdfd2-2
0.224
MAR-TRE-36bf7dba-66
0.223
AAR-UNI-c25c2f1e-41
0.223
MAK-UNK-1bb0b7ee-15
0.221
ALP-UNI-ed5cdfd2-7
0.221
RED-RED-10c9212c-19
0.220
ALP-UNI-ed5cdfd2-3
0.220
ALP-POS-a30bcdb4-1
0.219
AAR-UNI-c25c2f1e-52
0.219
AAR-UNI-c25c2f1e-83
0.218
MAR-TRE-aca67d11-41
0.217
MAR-TRE-14ce9fd6-40
0.214
WIL-UNI-d4749f31-37
0.211
AAR-UNI-c25c2f1e-58
0.211
MAK-UNK-1bb0b7ee-5
0.210
COM-UCB-1ef4e90e-3
0.208
COM-UCB-8c7d23dc-2
0.208
MAK-UNK-a7992eb3-12
0.207
MAK-UNK-1ac43cfa-1
0.206
AAR-UNI-c25c2f1e-57
0.206
JAG-UCB-c37fbdcd-2
0.206
ALP-POS-a30bcdb4-2
0.203
MAK-UNK-1bb0b7ee-14
0.202
MAR-TRE-9d18ae8c-20
0.200
MAK-UNK-a7992eb3-19
0.200
JAG-UCB-c37fbdcd-1
0.198
UNK-UNK-2ede4078-34
0.198
UNK-UNK-2ede4078-94
0.196
MAR-TRE-14ce9fd6-13
0.196
MAK-UNK-a7992eb3-4
0.195
RED-RED-10c9212c-55
0.194
BAR-COM-4e090d3a-22
0.194
BAR-COM-4e090d3a-37
0.192
MAR-TRE-9d18ae8c-12
0.192
MAK-UNK-c749d764-30
0.191
MAT-POS-590ac91e-40
0.190