Molecular Properties | |
SMILES: | COCCCOc1cc[n+](-c2nc3ccc(-n4cccc4)cc3[nH]2)c(CS)c1 |
MW: | 395.15 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 55.95 |
cLogP: | 3.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
quaternary nitrogen
Thiols
Filter74_thiol
thiols
thiol
Unbranched chain
dyes5A(27)
thioles_(not_aromatic)
MAR-TRE-143fb005-6
0.728
MAR-TRE-143fb005-4
0.709
MAR-TRE-143fb005-19
0.635
MAR-TRE-143fb005-1
0.628
MAR-TRE-143fb005-9
0.554
MAR-TRE-143fb005-26
0.543
MAR-TRE-143fb005-5
0.543
MAR-TRE-143fb005-39
0.533
MAR-TRE-143fb005-2
0.515
MAR-TRE-143fb005-21
0.500
MAR-TRE-143fb005-38
0.490
MAR-TRE-143fb005-12
0.474
MAR-TRE-143fb005-22
0.471
MAR-TRE-143fb005-30
0.418
MAR-TRE-143fb005-16
0.417
MAR-TRE-143fb005-7
0.398
MAR-TRE-143fb005-24
0.369
MAR-TRE-143fb005-28
0.350
MAR-TRE-143fb005-13
0.346
MAR-TRE-143fb005-23
0.330
MAR-TRE-143fb005-18
0.324
MAR-TRE-143fb005-35
0.324
MAR-TRE-143fb005-36
0.320
MAR-TRE-143fb005-15
0.320
MAR-TRE-143fb005-27
0.320
MAR-TRE-143fb005-11
0.318
MAR-TRE-143fb005-8
0.315
MAR-TRE-143fb005-10
0.306
MAR-TRE-143fb005-32
0.284
MAR-TRE-143fb005-29
0.284
MAR-TRE-143fb005-33
0.279
MAR-TRE-143fb005-20
0.275
MAR-TRE-143fb005-14
0.275
MAR-TRE-143fb005-31
0.265
MAR-TRE-143fb005-25
0.265
MAR-TRE-143fb005-37
0.255
MAR-TRE-143fb005-17
0.255
MAR-TRE-143fb005-34
0.236
MAR-TRE-9c797165-78
0.203
MAR-TRE-d0525fbf-2
0.192
KEI-TRE-d5e2018a-11
0.191
MAR-TRE-d0525fbf-35
0.191
ALP-POS-88a7a97e-31
0.190
MAR-TRE-3e4e6814-24
0.188
MAR-TRE-3e4e6814-18
0.186
AMD-UAU-3d234461-1
0.184
ALP-POS-ced8ea4d-18
0.184
MAR-TRE-c8530538-53
0.183
MAR-TRE-7f7bb9f0-73
0.180
MAR-TRE-c8530538-29
0.180
ALP-POS-88a7a97e-3
0.180
BAR-COM-4e090d3a-22
0.179
ALP-POS-95f71980-35
0.178
MAR-TRE-9c797165-81
0.178
MAR-TRE-d0525fbf-8
0.176
ALP-POS-ced8ea4d-19
0.175
ALP-POS-ced8ea4d-32
0.174
MAR-TRE-d0525fbf-37
0.173
MAR-TRE-d0525fbf-44
0.173
MAR-TRE-d0525fbf-71
0.173
MAR-TRE-7f7bb9f0-1
0.173
ALP-POS-ced8ea4d-52
0.173
MAT-POS-b5746674-23
0.171
ERI-UCB-b3e6b0c2-17
0.170
MAR-TRE-6c5ef77a-55
0.169
MAR-LAB-ff9967db-32
0.169
ALP-POS-95f71980-9
0.169
ALP-UNI-fe744232-30
0.169
MAR-TRE-c8530538-89
0.168
MAR-TRE-4b834d9a-23
0.168
ERI-UCB-ce40166b-16
0.168
ALP-POS-e980f4ea-64
0.167
MAR-TRE-7f7bb9f0-83
0.167
MAR-TRE-c8530538-9
0.167
MAR-TRE-d0525fbf-70
0.167
ALP-POS-ced8ea4d-34
0.166
MAR-TRE-3e4e6814-21
0.165
MAR-TRE-d0525fbf-21
0.165
MAR-TRE-3e4e6814-17
0.165
MAR-TRE-a3327163-72
0.165
ALP-POS-ced8ea4d-6
0.164
MAR-TRE-c8530538-73
0.164
MAR-TRE-fd17a9b8-97
0.164
MAR-TRE-d0525fbf-9
0.164
MAT-POS-ea426761-71
0.164
MAR-TRE-3159af1a-94
0.164
ALP-UNI-fe744232-2
0.163
ALP-POS-95f71980-10
0.163
ALP-POS-ced8ea4d-12
0.163
ALP-POS-ced8ea4d-51
0.163
ALP-POS-ced8ea4d-64
0.163
MAR-TRE-c8530538-70
0.163
MAR-TRE-67513f76-50
0.163
MAR-TRE-c8530538-52
0.162
BRU-THA-92256091-63
0.162
AUS-ARG-7cfdce8f-1
0.162
ALP-POS-e980f4ea-19
0.162
BAR-COM-4e090d3a-54
0.162
MAR-TRE-7f7bb9f0-3
0.162
MAR-TRE-7f7bb9f0-70
0.162