Molecular Properties | |
SMILES: | CCCCSc1nc2c(cc1C#N)CCC2 |
MW: | 232.1 |
Fraction sp3: | 0.54 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 36.68 |
cLogP: | 3.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4358600712 |
MolPort: | MolPort-002-142-636 |
Aliphatic long chain
MAR-TRE-14ce9fd6-81
0.836
MAR-TRE-14ce9fd6-92
0.617
MAR-TRE-14ce9fd6-76
0.613
MAR-TRE-14ce9fd6-75
0.607
MAR-TRE-0fda4e82-13
0.603
MAR-TRE-1c920f6f-38
0.587
MAR-TRE-14ce9fd6-11
0.567
MAR-TRE-14ce9fd6-18
0.544
MAR-TRE-14ce9fd6-96
0.508
MAR-TRE-1c920f6f-25
0.507
MAR-TRE-14ce9fd6-79
0.500
MAR-TRE-14ce9fd6-14
0.500
MAR-TRE-14ce9fd6-90
0.500
MAR-TRE-1c920f6f-11
0.493
MAR-TRE-14ce9fd6-19
0.493
MAR-TRE-0fda4e82-68
0.487
MAR-TRE-14ce9fd6-20
0.485
MAR-TRE-1c920f6f-17
0.479
MAR-TRE-14ce9fd6-40
0.474
MAR-TRE-14ce9fd6-22
0.471
MAR-TRE-1c920f6f-15
0.467
MAR-TRE-14ce9fd6-91
0.453
MAR-TRE-1c920f6f-19
0.451
MAR-TRE-1c920f6f-56
0.447
MAR-TRE-14ce9fd6-12
0.440
MAR-TRE-14ce9fd6-42
0.436
MAR-TRE-14ce9fd6-86
0.426
MAR-TRE-0fda4e82-36
0.412
MAR-TRE-14ce9fd6-93
0.410
MAR-TRE-1c920f6f-1
0.400
MAR-TRE-14ce9fd6-5
0.397
MAR-TRE-1c920f6f-68
0.387
MAR-TRE-14ce9fd6-7
0.384
MAR-TRE-1c920f6f-58
0.379
MAR-TRE-14ce9fd6-6
0.375
MAR-TRE-14ce9fd6-46
0.364
MAR-TRE-0fda4e82-46
0.322
MAR-TRE-6c5ef77a-27
0.318
MAR-TRE-14ce9fd6-70
0.307
MAR-TRE-1c920f6f-13
0.305
MAR-TRE-1c920f6f-85
0.301
MAR-TRE-1c920f6f-16
0.300
MAR-TRE-0fda4e82-69
0.263
MAR-TRE-6c5ef77a-48
0.250
MAR-TRE-14ce9fd6-15
0.247
MAR-TRE-6c5ef77a-31
0.247
MAR-TRE-0fda4e82-79
0.246
MAR-TRE-1c920f6f-61
0.244
MAR-TRE-1c920f6f-96
0.244
MAR-TRE-0fda4e82-6
0.235
MAR-TRE-a3327163-8
0.235
MAR-TRE-a3327163-41
0.229
MAR-TRE-6c5ef77a-71
0.226
MAR-TRE-a3327163-6
0.226
MAR-TRE-a3327163-24
0.225
MAR-TRE-a3327163-1
0.225
MAR-TRE-a3327163-82
0.222
MAR-TRE-a3327163-37
0.222
MAR-TRE-6c5ef77a-89
0.222
MAR-TRE-14ce9fd6-35
0.221
MAR-TRE-14ce9fd6-53
0.217
MAR-TRE-0fda4e82-12
0.216
MAR-TRE-0fda4e82-30
0.211
MAR-TRE-14ce9fd6-4
0.210
MAR-TRE-a3327163-5
0.208
MAR-TRE-6c5ef77a-18
0.207
MAR-TRE-a3327163-21
0.207
MAR-TRE-1c920f6f-29
0.207
MAR-TRE-14ce9fd6-33
0.207
MAR-TRE-a3327163-71
0.206
MAR-TRE-14ce9fd6-50
0.205
MAR-TRE-6c5ef77a-5
0.205
MAR-TRE-14ce9fd6-48
0.202
MAR-TRE-6c5ef77a-68
0.202
MAR-TRE-0fda4e82-31
0.202
MAR-TRE-0fda4e82-53
0.202
MAR-TRE-6c5ef77a-60
0.200
MAR-TRE-d0525fbf-93
0.200
MAR-TRE-0fda4e82-8
0.200
MAR-TRE-14ce9fd6-65
0.200
MAR-TRE-14ce9fd6-83
0.200
MAR-TRE-0fda4e82-42
0.198
MAR-TRE-1c920f6f-100
0.198
MAR-TRE-a3327163-72
0.198
MAR-TRE-fd17a9b8-23
0.196
MAR-TRE-1c920f6f-10
0.195
MAR-TRE-14ce9fd6-21
0.195
MAR-TRE-6c5ef77a-72
0.195
MAR-TRE-0fda4e82-82
0.193
MAR-TRE-1c920f6f-94
0.193
MAR-TRE-6c5ef77a-84
0.193
MAR-TRE-14ce9fd6-77
0.193
MAR-TRE-1c920f6f-86
0.191
MAR-TRE-14ce9fd6-23
0.191
MAR-TRE-6c5ef77a-8
0.190
MAR-TRE-a3327163-25
0.190
MAR-TRE-14ce9fd6-3
0.190
MAR-TRE-6c5ef77a-9
0.189
MAR-TRE-a3327163-11
0.188
MAR-TRE-1c920f6f-81
0.187