Molecular Properties | |
SMILES: | COCCCOc1cc[n+](-c2nc3ccc(-n4cccc4)cc3[nH]2)c(CS)c1C |
MW: | 409.17 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 55.95 |
cLogP: | 3.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
quaternary nitrogen
Thiols
Filter74_thiol
thiols
thiol
Unbranched chain
dyes5A(27)
thioles_(not_aromatic)
MAR-TRE-143fb005-5
0.747
MAR-TRE-143fb005-21
0.739
MAR-TRE-143fb005-7
0.690
MAR-TRE-143fb005-26
0.629
MAR-TRE-143fb005-3
0.628
MAR-TRE-143fb005-13
0.625
MAR-TRE-143fb005-39
0.582
MAR-TRE-143fb005-38
0.553
MAR-TRE-143fb005-6
0.538
MAR-TRE-143fb005-9
0.521
MAR-TRE-143fb005-10
0.500
MAR-TRE-143fb005-2
0.485
MAR-TRE-143fb005-4
0.485
MAR-TRE-143fb005-15
0.484
MAR-TRE-143fb005-28
0.449
MAR-TRE-143fb005-17
0.439
MAR-TRE-143fb005-25
0.419
MAR-TRE-143fb005-27
0.392
MAR-TRE-143fb005-11
0.385
MAR-TRE-143fb005-24
0.371
MAR-TRE-143fb005-19
0.365
MAR-TRE-143fb005-36
0.364
MAR-TRE-143fb005-35
0.352
MAR-TRE-143fb005-20
0.340
MAR-TRE-143fb005-31
0.333
MAR-TRE-143fb005-33
0.333
MAR-TRE-143fb005-32
0.324
MAR-TRE-143fb005-22
0.323
MAR-TRE-143fb005-23
0.308
MAR-TRE-143fb005-18
0.303
MAR-TRE-143fb005-12
0.300
MAR-TRE-143fb005-37
0.297
MAR-TRE-143fb005-8
0.295
MAR-TRE-143fb005-34
0.288
MAR-TRE-143fb005-30
0.282
MAR-TRE-143fb005-29
0.264
MAR-TRE-143fb005-14
0.257
MAR-TRE-143fb005-16
0.252
ALP-POS-88a7a97e-31
0.205
ALP-POS-88a7a97e-3
0.203
MAR-TRE-9c797165-78
0.198
ALP-POS-95f71980-35
0.190
AMD-UAU-3d234461-1
0.190
WIL-UNI-de614146-13
0.190
BRU-THA-92256091-19
0.190
ALP-POS-ced8ea4d-19
0.188
ALP-POS-ced8ea4d-18
0.188
WIL-UNI-354943b6-7
0.186
MAR-TRE-7f7bb9f0-73
0.185
MAR-TRE-3e4e6814-24
0.183
WIL-UNI-354943b6-14
0.183
BRU-THA-92256091-85
0.183
MAR-TRE-f5c2d31c-4
0.183
BRU-THA-92256091-63
0.182
MAR-TRE-3e4e6814-18
0.182
ALP-UNI-fe744232-26
0.182
ALP-UNI-fe744232-30
0.182
ALP-POS-95f71980-3
0.181
WIL-UNI-354943b6-1
0.181
MAR-TRE-d0525fbf-2
0.179
BRU-THA-92256091-23
0.179
MAT-POS-ea426761-71
0.178
WIL-UNI-de614146-1
0.178
MAR-TRE-d0525fbf-71
0.178
ALP-POS-ced8ea4d-52
0.177
ALP-UNI-fe744232-14
0.177
WIL-UNI-de614146-6
0.177
MAT-POS-b5746674-31
0.176
WIL-UNI-de614146-10
0.176
BRU-THA-92256091-93
0.176
ALP-POS-95f71980-10
0.176
ALP-UNI-fe744232-2
0.176
ALP-UNI-fe744232-21
0.175
MAR-TRE-6c5ef77a-55
0.175
MAR-TRE-3724962b-29
0.174
ALP-POS-95f71980-9
0.174
ALP-UNI-fe744232-24
0.174
LON-WEI-adc59df6-27
0.173
MAR-TRE-3159af1a-55
0.173
WIL-UNI-de614146-12
0.173
ALP-POS-02c6a514-29
0.172
BRU-THA-92256091-12
0.172
ALP-POS-b0bc6a46-18
0.172
ALP-UNI-fe744232-1
0.172
ALP-POS-305f6ec3-53
0.172
BRU-THA-92256091-18
0.171
BRU-THA-92256091-86
0.171
ALP-POS-95f71980-15
0.171
ALP-POS-ced8ea4d-32
0.171
BRU-THA-92256091-84
0.171
MAR-TRE-3e4e6814-21
0.171
BRU-THA-92256091-8
0.170
ALP-POS-ced8ea4d-67
0.170
ALP-UNI-fe744232-8
0.170
ALP-POS-ced8ea4d-34
0.170
MAR-TRE-3159af1a-94
0.169
MAR-TRE-d0525fbf-37
0.169
ALP-POS-ced8ea4d-28
0.169
MAR-TRE-d0525fbf-35
0.169
ALP-POS-02c6a514-37
0.169