Molecular Properties | |
SMILES: | Cc1c[n+](-c2nc3ccc(-n4cccc4)cc3[nH]2)c(CS)cc1OCC(F)(F)F |
MW: | 419.11 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 46.72 |
cLogP: | 4.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
quaternary nitrogen
Thiols
Filter74_thiol
thiols
thiol
dyes5A(27)
thioles_(not_aromatic)
MAR-TRE-143fb005-9
0.744
MAR-TRE-143fb005-8
0.671
MAR-TRE-143fb005-14
0.635
MAR-TRE-143fb005-4
0.633
MAR-TRE-143fb005-21
0.630
MAR-TRE-143fb005-6
0.538
MAR-TRE-143fb005-5
0.527
MAR-TRE-143fb005-38
0.521
MAR-TRE-143fb005-3
0.515
MAR-TRE-143fb005-39
0.500
MAR-TRE-143fb005-26
0.495
MAR-TRE-143fb005-18
0.495
MAR-TRE-143fb005-1
0.485
MAR-TRE-143fb005-23
0.478
MAR-TRE-143fb005-24
0.439
MAR-TRE-143fb005-29
0.424
MAR-TRE-143fb005-12
0.400
MAR-TRE-143fb005-10
0.396
MAR-TRE-143fb005-11
0.369
MAR-TRE-143fb005-16
0.360
MAR-TRE-143fb005-17
0.353
MAR-TRE-143fb005-32
0.333
MAR-TRE-143fb005-20
0.324
MAR-TRE-143fb005-35
0.324
MAR-TRE-143fb005-22
0.320
MAR-TRE-143fb005-15
0.307
MAR-TRE-143fb005-33
0.304
MAR-TRE-143fb005-36
0.294
MAR-TRE-143fb005-7
0.286
MAR-TRE-143fb005-27
0.282
MAR-TRE-143fb005-30
0.277
MAR-TRE-143fb005-19
0.275
MAR-TRE-143fb005-34
0.260
MAR-TRE-143fb005-25
0.252
MAR-TRE-143fb005-13
0.239
MAR-TRE-143fb005-37
0.231
MAR-TRE-143fb005-31
0.229
MAR-TRE-143fb005-28
0.219
ALP-POS-ced8ea4d-18
0.200
MAR-TRE-6c5ef77a-55
0.198
MAR-TRE-7f7bb9f0-73
0.189
MAK-UNK-e4a48a85-5
0.188
BRU-THA-92256091-63
0.186
MAR-TRE-d0525fbf-2
0.183
ALP-POS-e980f4ea-18
0.183
MAR-TRE-7f7bb9f0-48
0.183
MAR-TRE-67513f76-71
0.178
ALP-POS-95f71980-9
0.178
MAT-POS-90fd5f68-5
0.177
MAR-TRE-c8530538-14
0.177
MAR-TRE-3e4e6814-2
0.177
MAR-TRE-c8530538-9
0.176
ALP-POS-ced8ea4d-44
0.176
MAR-TRE-9c797165-76
0.176
ARI-TAT-26e9d03d-2
0.175
GAB-REV-4a4e2ff3-7
0.174
MAR-TRE-d0525fbf-37
0.173
MAR-TRE-d0525fbf-44
0.173
MAT-POS-b5746674-20
0.173
MAR-TRE-7f7bb9f0-1
0.173
MAR-TRE-d0525fbf-71
0.173
JUL-TUD-06b2044f-78
0.172
MAR-TRE-9c797165-49
0.172
DAV-UNK-daa7da46-2
0.172
JOH-MR_-42fa5481-8
0.171
ALP-UNI-ed5cdfd2-1
0.171
MAR-TRE-74c6519b-70
0.171
ALP-POS-e980f4ea-44
0.170
MAR-TRE-b77b7921-20
0.169
KEI-TRE-d5e2018a-66
0.169
ALP-POS-02c6a514-43
0.169
ALP-POS-b0bc6a46-27
0.169
MAR-TRE-3e4e6814-24
0.168
BRU-THA-92256091-42
0.168
MAR-TRE-7f7bb9f0-23
0.167
MAR-TRE-d0525fbf-8
0.167
MAR-TRE-d0525fbf-70
0.167
EDJ-MED-378a25ea-29
0.166
UNK-CYC-68f84b31-37
0.165
MAR-TRE-d0525fbf-68
0.165
MAR-TRE-d0525fbf-21
0.165
MAR-TRE-3e4e6814-21
0.165
MAR-TRE-74c6519b-86
0.164
DAR-DIA-0587064e-1
0.164
MAR-TRE-9c797165-78
0.164
MAT-POS-ea426761-49
0.164
ALP-POS-ced8ea4d-51
0.163
LON-WEI-4d77710c-41
0.163
LON-WEI-5e7d1b3e-41
0.163
ALP-POS-95f71980-35
0.162
MAR-TRE-3724962b-10
0.162
MAR-TRE-7f7bb9f0-3
0.162
MAR-TRE-7f7bb9f0-70
0.162
MAR-TRE-c8530538-29
0.161
STE-UNK-28609fce-1
0.161
VLA-UNK-61877630-1
0.161
DAV-UNK-d94803a2-4
0.160
UNK-CYC-68f84b31-49
0.160
MAR-TRE-d0525fbf-3
0.160
MAR-TRE-d0525fbf-89
0.160