Molecular Properties | |
SMILES: | FC(F)(F)COc1cc[n+](-c2nc3ccc(-n4cccc4)cc3[nH]2)c(CS)c1 |
MW: | 405.1 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 46.72 |
cLogP: | 4.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
quaternary nitrogen
Thiols
Filter74_thiol
thiols
thiol
dyes5A(27)
thioles_(not_aromatic)
MAR-TRE-143fb005-6
0.713
MAR-TRE-143fb005-3
0.709
MAR-TRE-143fb005-12
0.651
MAR-TRE-143fb005-2
0.633
MAR-TRE-143fb005-16
0.622
MAR-TRE-143fb005-21
0.615
MAR-TRE-143fb005-9
0.538
MAR-TRE-143fb005-5
0.527
MAR-TRE-143fb005-26
0.527
MAR-TRE-143fb005-39
0.516
MAR-TRE-143fb005-1
0.485
MAR-TRE-143fb005-38
0.474
MAR-TRE-143fb005-22
0.453
MAR-TRE-143fb005-19
0.417
MAR-TRE-143fb005-30
0.400
MAR-TRE-143fb005-8
0.390
MAR-TRE-143fb005-10
0.380
MAR-TRE-143fb005-11
0.380
MAR-TRE-143fb005-14
0.360
MAR-TRE-143fb005-17
0.337
MAR-TRE-143fb005-20
0.333
MAR-TRE-143fb005-35
0.320
MAR-TRE-143fb005-18
0.320
MAR-TRE-143fb005-23
0.313
MAR-TRE-143fb005-15
0.303
MAR-TRE-143fb005-27
0.303
MAR-TRE-143fb005-36
0.303
MAR-TRE-143fb005-7
0.282
MAR-TRE-143fb005-32
0.280
MAR-TRE-143fb005-29
0.267
MAR-TRE-143fb005-33
0.262
MAR-TRE-143fb005-24
0.255
MAR-TRE-143fb005-25
0.248
MAR-TRE-143fb005-31
0.248
MAR-TRE-143fb005-37
0.238
MAR-TRE-143fb005-28
0.236
MAR-TRE-143fb005-13
0.234
ALP-POS-ced8ea4d-18
0.230
MAR-TRE-143fb005-34
0.219
ALP-POS-95f71980-35
0.207
BRU-THA-92256091-63
0.207
ALP-POS-e980f4ea-18
0.204
ALP-POS-ced8ea4d-32
0.203
MAT-POS-90fd5f68-5
0.202
ALP-POS-ced8ea4d-19
0.197
ALP-POS-ced8ea4d-37
0.195
ALP-POS-95f71980-1
0.193
ALP-POS-ced8ea4d-12
0.193
ALP-POS-ced8ea4d-51
0.193
ALP-POS-95f71980-36
0.193
ALP-POS-95f71980-5
0.191
ALP-POS-95f71980-9
0.191
ALP-POS-e980f4ea-37
0.189
ALP-POS-e980f4ea-32
0.189
ALP-UNI-fe744232-1
0.188
MAR-TRE-d0525fbf-2
0.188
ALP-POS-ced8ea4d-67
0.187
BRU-THA-92256091-84
0.186
ALP-POS-ced8ea4d-28
0.186
ALP-POS-ced8ea4d-52
0.185
ALP-UNI-fe744232-14
0.185
ALP-POS-ced8ea4d-64
0.185
ALP-POS-d0876c20-5
0.185
MAT-POS-90fd5f68-23
0.183
ALP-POS-e980f4ea-19
0.183
ALP-POS-ced8ea4d-55
0.183
ALP-POS-95f71980-10
0.183
ALP-POS-95f71980-33
0.183
ALP-POS-ced8ea4d-62
0.182
BRU-THA-92256091-85
0.182
ALP-POS-02c6a514-50
0.182
ALP-POS-95f71980-28
0.182
ALP-POS-02c6a514-46
0.182
ALP-POS-95f71980-12
0.181
ALP-POS-e980f4ea-16
0.181
ALP-UNI-fe744232-22
0.181
ALP-UNI-fe744232-30
0.181
PAU-WEI-5b8d5051-2
0.181
ALP-POS-ced8ea4d-9
0.180
BRU-THA-92256091-19
0.180
ALP-POS-e980f4ea-67
0.180
ALP-POS-ced8ea4d-16
0.180
ALP-POS-95f71980-3
0.180
WIL-UNI-354943b6-1
0.180
ALP-POS-e980f4ea-64
0.180
MAR-TRE-d0525fbf-8
0.180
ALP-POS-e980f4ea-12
0.179
BRU-THA-92256091-32
0.179
ALP-POS-305f6ec3-52
0.179
ALP-POS-95f71980-14
0.179
ALP-POS-e980f4ea-51
0.179
ALP-UNI-fe744232-18
0.179
MAR-TRE-d0525fbf-21
0.179
BRU-THA-92256091-86
0.179
ALP-POS-305f6ec3-57
0.178
ALP-UNI-fe744232-3
0.178
ALP-UNI-fe744232-11
0.177
ALP-POS-02c6a514-37
0.177
ALP-POS-b0bc6a46-22
0.177
EDJ-MED-378a25ea-29
0.177