Molecular Properties | |
SMILES: | Cc1c(OCC(F)(F)F)cc[n+](-c2nc3ccc(-n4cccc4)cc3[nH]2)c1CS |
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-143fb005-5
0.753
MAR-TRE-143fb005-1
0.739
MAR-TRE-143fb005-10
0.679
MAR-TRE-143fb005-26
0.632
MAR-TRE-143fb005-2
0.630
MAR-TRE-143fb005-17
0.624
MAR-TRE-143fb005-4
0.615
MAR-TRE-143fb005-39
0.584
MAR-TRE-143fb005-6
0.538
MAR-TRE-143fb005-38
0.538
MAR-TRE-143fb005-9
0.521
MAR-TRE-143fb005-7
0.500
MAR-TRE-143fb005-3
0.500
MAR-TRE-143fb005-11
0.500
MAR-TRE-143fb005-15
0.500
MAR-TRE-143fb005-20
0.433
MAR-TRE-143fb005-13
0.429
MAR-TRE-143fb005-25
0.418
MAR-TRE-143fb005-8
0.406
MAR-TRE-143fb005-27
0.404
MAR-TRE-143fb005-12
0.400
MAR-TRE-143fb005-36
0.375
MAR-TRE-143fb005-14
0.363
MAR-TRE-143fb005-35
0.363
MAR-TRE-143fb005-16
0.347
MAR-TRE-143fb005-22
0.333
MAR-TRE-143fb005-33
0.330
MAR-TRE-143fb005-31
0.330
MAR-TRE-143fb005-32
0.321
MAR-TRE-143fb005-23
0.317
MAR-TRE-143fb005-28
0.311
MAR-TRE-143fb005-18
0.311
MAR-TRE-143fb005-37
0.293
MAR-TRE-143fb005-30
0.277
MAR-TRE-143fb005-34
0.272
MAR-TRE-143fb005-19
0.264
MAR-TRE-143fb005-29
0.260
MAR-TRE-143fb005-24
0.248
ALP-POS-ced8ea4d-18
0.234
BRU-THA-92256091-63
0.229
ALP-POS-95f71980-35
0.211
WIL-UNI-354943b6-7
0.207
ALP-POS-95f71980-9
0.205
BRU-THA-92256091-85
0.204
BRU-THA-92256091-19
0.203
WIL-UNI-de614146-13
0.203
ALP-POS-ced8ea4d-19
0.201
WIL-UNI-354943b6-1
0.201
ALP-POS-95f71980-3
0.201
ALP-POS-e980f4ea-18
0.200
BRU-THA-92256091-86
0.200
ALP-UNI-fe744232-14
0.199
ALP-POS-95f71980-1
0.197
MAT-POS-ea426761-49
0.196
BRU-THA-92256091-93
0.196
BRU-THA-92256091-66
0.196
ALP-POS-95f71980-5
0.196
ALP-UNI-fe744232-26
0.194
ALP-POS-ced8ea4d-65
0.193
ALP-UNI-fe744232-1
0.193
BRU-THA-92256091-32
0.193
BRU-THA-92256091-18
0.193
BRU-THA-92256091-8
0.192
ALP-POS-ced8ea4d-37
0.191
ALP-POS-ced8ea4d-67
0.191
ALP-POS-ced8ea4d-28
0.191
ALP-POS-88a7a97e-48
0.191
ALP-POS-ced8ea4d-32
0.190
BRU-THA-92256091-84
0.190
WIL-UNI-de614146-1
0.190
WIL-UNI-de614146-6
0.190
BRU-THA-92256091-16
0.190
BRU-THA-92256091-17
0.190
ALP-POS-305f6ec3-54
0.190
BRU-THA-92256091-24
0.189
MAR-TRE-7f7bb9f0-73
0.189
ALP-POS-d0876c20-5
0.189
BRU-THA-92256091-75
0.188
ALP-POS-ced8ea4d-12
0.188
ALP-POS-ced8ea4d-51
0.188
MAR-TRE-3e4e6814-24
0.188
ALP-POS-ced8ea4d-27
0.188
ALP-POS-95f71980-33
0.188
ALP-UNI-fe744232-2
0.188
BRU-THA-92256091-67
0.188
ALP-POS-ced8ea4d-21
0.188
ALP-POS-95f71980-10
0.188
WIL-UNI-354943b6-14
0.187
BRU-THA-92256091-80
0.187
ALP-POS-ced8ea4d-62
0.187
ALP-UNI-fe744232-24
0.187
MAT-POS-f2460aef-3
0.187
ALP-POS-02c6a514-50
0.187
BRU-THA-92256091-92
0.186
ALP-POS-95f71980-28
0.186
ALP-UNI-fe744232-30
0.186
WIL-UNI-de614146-12
0.185
BRU-THA-92256091-15
0.185
ALP-POS-ced8ea4d-9
0.185
ALP-POS-ced8ea4d-15
0.185