Molecular Properties | |
SMILES: | COc1cc[n+](-c2nc3ccc(-n4cccc4)cc3[nH]2)c(CS)c1OC |
MW: | 367.12 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 55.95 |
cLogP: | 3.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
quaternary nitrogen
Thiols
Filter74_thiol
thiols
thiol
dyes5A(27)
thioles_(not_aromatic)
MAR-TRE-143fb005-5
0.763
MAR-TRE-143fb005-39
0.705
MAR-TRE-143fb005-27
0.653
MAR-TRE-143fb005-21
0.632
MAR-TRE-143fb005-6
0.630
MAR-TRE-143fb005-1
0.629
MAR-TRE-143fb005-38
0.627
MAR-TRE-143fb005-9
0.588
MAR-TRE-143fb005-31
0.571
MAR-TRE-143fb005-3
0.543
MAR-TRE-143fb005-4
0.527
MAR-TRE-143fb005-2
0.495
MAR-TRE-143fb005-11
0.494
MAR-TRE-143fb005-15
0.476
MAR-TRE-143fb005-36
0.442
MAR-TRE-143fb005-20
0.440
MAR-TRE-143fb005-35
0.440
MAR-TRE-143fb005-28
0.424
MAR-TRE-143fb005-10
0.415
MAR-TRE-143fb005-25
0.407
MAR-TRE-143fb005-7
0.402
MAR-TRE-143fb005-22
0.379
MAR-TRE-143fb005-32
0.375
MAR-TRE-143fb005-33
0.374
MAR-TRE-143fb005-37
0.364
MAR-TRE-143fb005-18
0.351
MAR-TRE-143fb005-23
0.344
MAR-TRE-143fb005-17
0.340
MAR-TRE-143fb005-13
0.333
MAR-TRE-143fb005-12
0.333
MAR-TRE-143fb005-30
0.330
MAR-TRE-143fb005-34
0.323
MAR-TRE-143fb005-8
0.301
MAR-TRE-143fb005-29
0.295
MAR-TRE-143fb005-19
0.284
MAR-TRE-143fb005-16
0.267
MAR-TRE-143fb005-14
0.248
MAR-TRE-143fb005-24
0.243
MAR-TRE-7f7bb9f0-73
0.221
TAN-UNK-0373ceaf-1
0.212
ALP-POS-19e898d3-1
0.210
MAR-TRE-d0525fbf-2
0.205
MAR-TRE-7f7bb9f0-1
0.203
MAR-TRE-d0525fbf-71
0.203
MAR-TRE-3e4e6814-24
0.202
MAT-POS-ea426761-59
0.200
MAR-TRE-f5c2d31c-55
0.200
MAR-TRE-9c797165-25
0.198
MAR-TRE-d0525fbf-70
0.197
MAR-TRE-d3c2bf0e-68
0.196
MAR-TRE-d0525fbf-37
0.195
MAT-POS-ea426761-71
0.195
MAR-TRE-d0525fbf-44
0.194
MAR-TRE-d0525fbf-28
0.193
MAR-TRE-4b834d9a-23
0.190
MAR-TRE-74c6519b-77
0.189
MAR-TRE-b77b7921-48
0.189
AMD-UAU-3d234461-1
0.188
MAR-TRE-d0525fbf-8
0.187
MAR-TRE-3e4e6814-21
0.186
ALP-POS-ced8ea4d-19
0.186
MAR-TRE-d0525fbf-68
0.185
MAR-TRE-3724962b-16
0.185
MAR-TRE-d0525fbf-9
0.185
ALP-POS-19e898d3-2
0.184
JOH-MR_-42fa5481-8
0.183
MAR-TRE-04c86cea-70
0.183
MAT-POS-590ac91e-37
0.183
MAR-TRE-7f7bb9f0-3
0.182
MAR-TRE-74c6519b-45
0.182
MAR-TRE-7f7bb9f0-70
0.182
MAR-TRE-d0525fbf-12
0.182
ALP-UNI-fe744232-2
0.181
MAR-TRE-3724962b-29
0.180
MAR-TRE-d0525fbf-3
0.180
MAR-TRE-4b834d9a-39
0.180
MAR-TRE-8a25d817-9
0.180
ALP-POS-95f71980-35
0.180
MAT-POS-590ac91e-41
0.179
MAT-POS-590ac91e-40
0.179
MAR-TRE-d0525fbf-23
0.179
MAR-TRE-f5c2d31c-4
0.179
MAR-UCB-195bc32d-23
0.179
MAR-TRE-3e4e6814-2
0.179
MAR-TRE-d0525fbf-6
0.179
BRU-THA-92256091-19
0.178
MAR-TRE-04c86cea-33
0.177
ALP-POS-ced8ea4d-18
0.177
MAR-TRE-3e4e6814-50
0.176
JAG-UCB-c37fbdcd-1
0.176
GAB-REV-4a4e2ff3-7
0.176
MAR-TRE-67513f76-55
0.176
WIL-UNI-de614146-1
0.175
MAR-TRE-04c86cea-56
0.175
DAR-DIA-1a77c53a-20
0.175
JUL-TUD-06b2044f-78
0.174
DAR-DIA-eace69ff-35
0.174
UNK-UNK-2ede4078-94
0.173
ALP-UNI-ed5cdfd2-1
0.172
ALP-POS-c59291d4-7
0.172