Molecular Properties | |
SMILES: | CCCCSc1nc2c(cc1C#N)CCCC2 |
MW: | 246.12 |
Fraction sp3: | 0.57 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 36.68 |
cLogP: | 3.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6365754796 |
MolPort: | MolPort-002-257-608 |
Aliphatic long chain
MAR-TRE-14ce9fd6-80
0.836
MAR-TRE-14ce9fd6-11
0.683
MAR-TRE-14ce9fd6-96
0.623
MAR-TRE-1c920f6f-25
0.619
MAR-TRE-14ce9fd6-79
0.613
MAR-TRE-14ce9fd6-19
0.603
MAR-TRE-14ce9fd6-14
0.603
MAR-TRE-14ce9fd6-20
0.594
MAR-TRE-1c920f6f-17
0.580
MAR-TRE-1c920f6f-11
0.548
MAR-TRE-14ce9fd6-22
0.529
MAR-TRE-1c920f6f-15
0.521
MAR-TRE-14ce9fd6-91
0.516
MAR-TRE-14ce9fd6-92
0.508
MAR-TRE-14ce9fd6-76
0.507
MAR-TRE-0fda4e82-13
0.507
MAR-TRE-1c920f6f-56
0.500
MAR-TRE-14ce9fd6-75
0.500
MAR-TRE-0fda4e82-36
0.494
MAR-TRE-14ce9fd6-12
0.493
MAR-TRE-1c920f6f-38
0.485
MAR-TRE-14ce9fd6-42
0.468
MAR-TRE-14ce9fd6-7
0.463
MAR-TRE-14ce9fd6-93
0.457
MAR-TRE-14ce9fd6-18
0.452
MAR-TRE-14ce9fd6-46
0.452
MAR-TRE-14ce9fd6-5
0.451
MAR-TRE-1c920f6f-1
0.446
MAR-TRE-1c920f6f-58
0.424
MAR-TRE-14ce9fd6-86
0.420
MAR-TRE-14ce9fd6-90
0.420
MAR-TRE-14ce9fd6-6
0.419
MAR-TRE-0fda4e82-68
0.412
MAR-TRE-14ce9fd6-40
0.398
MAR-TRE-1c920f6f-19
0.395
MAR-TRE-6c5ef77a-27
0.314
MAR-TRE-1c920f6f-68
0.312
MAR-TRE-0fda4e82-46
0.303
MAR-TRE-1c920f6f-13
0.286
MAR-TRE-14ce9fd6-70
0.286
MAR-TRE-1c920f6f-16
0.280
MAR-TRE-1c920f6f-85
0.280
MAR-TRE-14ce9fd6-35
0.247
MAR-TRE-6c5ef77a-48
0.247
MAR-TRE-14ce9fd6-15
0.244
MAR-TRE-6c5ef77a-31
0.244
MAR-TRE-0fda4e82-69
0.244
MAR-TRE-0fda4e82-79
0.243
MAR-TRE-1c920f6f-61
0.242
MAR-TRE-1c920f6f-96
0.242
MAR-TRE-a3327163-8
0.232
MAR-TRE-14ce9fd6-53
0.229
MAR-TRE-a3327163-41
0.226
MAR-TRE-6c5ef77a-71
0.224
MAR-TRE-a3327163-6
0.224
MAR-TRE-a3327163-24
0.222
MAR-TRE-a3327163-1
0.222
MAR-TRE-14ce9fd6-21
0.221
MAR-TRE-a3327163-82
0.220
MAR-TRE-a3327163-37
0.219
MAR-TRE-6c5ef77a-89
0.219
MAR-TRE-0fda4e82-6
0.218
MAR-TRE-14ce9fd6-50
0.217
MAR-TRE-0fda4e82-12
0.213
MAR-TRE-14ce9fd6-48
0.213
MAR-TRE-14ce9fd6-65
0.212
MAR-TRE-14ce9fd6-83
0.211
MAR-TRE-0fda4e82-30
0.208
MAR-TRE-14ce9fd6-4
0.207
MAR-TRE-a3327163-5
0.206
MAR-TRE-a3327163-21
0.205
MAR-TRE-14ce9fd6-77
0.205
MAR-TRE-1c920f6f-29
0.205
MAR-TRE-14ce9fd6-33
0.205
MAR-TRE-14ce9fd6-23
0.202
MAR-TRE-6c5ef77a-68
0.200
MAR-TRE-0fda4e82-31
0.200
MAR-TRE-d0525fbf-93
0.198
MAR-TRE-14ce9fd6-57
0.198
MAR-TRE-a3327163-72
0.196
MAR-TRE-1c920f6f-100
0.196
MAR-TRE-fd17a9b8-23
0.194
MAR-TRE-1c920f6f-10
0.193
MAR-TRE-6c5ef77a-72
0.192
DAR-DIA-0cde14eb-43
0.192
MAR-TRE-a3327163-71
0.192
MAR-TRE-6c5ef77a-84
0.191
MAR-TRE-1c920f6f-94
0.191
MAR-TRE-0fda4e82-82
0.191
MAR-TRE-6c5ef77a-18
0.190
JAN-GHE-f4ca5a00-18
0.190
MAR-TRE-1c920f6f-95
0.189
MAR-TRE-6c5ef77a-5
0.189
MAR-TRE-1c920f6f-86
0.189
MAR-TRE-6c5ef77a-8
0.188
MAR-TRE-a3327163-25
0.188
MAR-TRE-14ce9fd6-3
0.188
MAR-TRE-0fda4e82-53
0.188
MAR-TRE-1c920f6f-63
0.188
MAR-TRE-1c920f6f-49
0.188