Molecular Properties | |
SMILES: | COc1cc(C)c[n+](-c2nc3ccccc3[nH]2)c1CS |
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-143fb005-33
0.652
MAR-TRE-143fb005-32
0.592
MAR-TRE-143fb005-38
0.590
MAR-TRE-143fb005-37
0.580
MAR-TRE-143fb005-25
0.571
MAR-TRE-143fb005-29
0.556
MAR-TRE-143fb005-31
0.549
MAR-TRE-143fb005-30
0.486
MAR-TRE-143fb005-13
0.476
MAR-TRE-143fb005-20
0.463
MAR-TRE-143fb005-28
0.463
MAR-TRE-143fb005-24
0.452
MAR-TRE-143fb005-17
0.451
MAR-TRE-143fb005-14
0.446
MAR-TRE-143fb005-19
0.412
MAR-TRE-143fb005-16
0.393
MAR-TRE-143fb005-36
0.378
MAR-TRE-143fb005-15
0.361
MAR-TRE-143fb005-35
0.348
MAR-TRE-143fb005-27
0.345
MAR-TRE-143fb005-23
0.341
MAR-TRE-143fb005-39
0.341
MAR-TRE-143fb005-5
0.337
MAR-TRE-143fb005-26
0.323
MAR-TRE-143fb005-9
0.319
MAR-TRE-143fb005-18
0.319
MAR-TRE-143fb005-7
0.316
MAR-TRE-143fb005-10
0.312
AAR-POS-0daf6b7e-39
0.310
MAR-TRE-143fb005-11
0.298
MAR-TRE-143fb005-22
0.298
MAR-TRE-143fb005-8
0.295
MAR-TRE-143fb005-1
0.288
MAK-UNK-3ae66343-1
0.282
CAS-DEP-751a2458-2
0.275
MAR-TRE-143fb005-6
0.274
MAR-TRE-143fb005-21
0.272
MAR-TRE-ebcc4ad6-45
0.267
MAK-UNK-3ae66343-2
0.266
JAR-KUA-672ec752-12
0.261
MAR-TRE-143fb005-12
0.260
MAR-TRE-143fb005-2
0.260
MAK-UNK-1bb0b7ee-12
0.258
MAR-TRE-1c920f6f-61
0.255
ALP-UNI-ed5cdfd2-1
0.250
MAR-TRE-87acfbcc-73
0.247
AAR-POS-0daf6b7e-25
0.247
MAR-TRE-d3c2bf0e-16
0.244
MAR-TRE-14ce9fd6-30
0.244
GAB-REV-4a4e2ff3-3
0.243
SWA-SYN-40d44a84-4
0.241
MAR-TRE-423310b6-61
0.239
SAD-SAT-f0a2747f-6
0.239
ALP-POS-a30bcdb4-1
0.238
GAB-REV-70cc3ca5-9
0.237
SWA-SYN-40d44a84-1
0.236
MAR-TRE-143fb005-3
0.236
ALP-POS-ddb41b15-9
0.236
MAR-TRE-14ce9fd6-40
0.235
MAR-TRE-36bf7dba-66
0.232
SWA-SYN-40d44a84-5
0.230
MAR-TRE-8a25d817-28
0.230
SEB-HKI-06b43755-1
0.229
MAK-UNK-1bb0b7ee-9
0.229
MAK-UNK-1bb0b7ee-5
0.229
MAK-UNK-1bb0b7ee-15
0.228
MAK-UNK-1ac43cfa-1
0.225
AAR-UNI-c25c2f1e-83
0.225
MAK-UNK-a7992eb3-12
0.225
ALP-UNI-ed5cdfd2-2
0.220
MAR-TRE-143fb005-4
0.219
WIL-UNI-d4749f31-37
0.219
AAR-UNI-c25c2f1e-41
0.219
AAR-UNI-c25c2f1e-44
0.218
ALP-UNI-ed5cdfd2-7
0.216
RED-RED-10c9212c-19
0.216
ALP-UNI-ed5cdfd2-3
0.216
AAR-UNI-c25c2f1e-52
0.214
AAR-UNI-c25c2f1e-57
0.214
MAR-TRE-aca67d11-41
0.213
ALP-POS-a30bcdb4-2
0.210
RED-RED-10c9212c-30
0.210
MAK-UNK-1bb0b7ee-14
0.209
MAR-TRE-1c920f6f-65
0.208
MAR-TRE-9d18ae8c-20
0.208
MAK-UNK-a7992eb3-19
0.207
AAR-UNI-c25c2f1e-58
0.206
COM-UCB-1ef4e90e-3
0.204
MAR-TRE-8a25d817-9
0.202
RED-RED-10c9212c-55
0.202
ALP-POS-3fc1724e-8
0.200
MAK-UNK-c749d764-30
0.198
MAK-UNK-b1d4dcd7-1
0.196
JAG-UCB-c37fbdcd-1
0.194
UNK-UNK-2ede4078-34
0.194
COM-UCB-8c7d23dc-2
0.192
UNK-UNK-2ede4078-94
0.192
MAK-UNK-a7992eb3-4
0.192
JAG-UCB-c37fbdcd-2
0.191
BAR-COM-4e090d3a-22
0.190