Molecular Properties | |
SMILES: | C=C(C)CSc1nc2c(cc1C#N)CCC2 |
MW: | 230.09 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.68 |
cLogP: | 3.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2932416746 |
MolPort: | MolPort-000-690-275 |
isolated alkene
MAR-TRE-1c920f6f-38
0.695
MAR-TRE-14ce9fd6-75
0.633
MAR-TRE-1c920f6f-25
0.629
MAR-TRE-0fda4e82-13
0.627
MAR-TRE-14ce9fd6-92
0.617
MAR-TRE-14ce9fd6-80
0.613
MAR-TRE-14ce9fd6-19
0.587
MAR-TRE-14ce9fd6-20
0.578
MAR-TRE-0fda4e82-68
0.566
MAR-TRE-14ce9fd6-22
0.561
MAR-TRE-14ce9fd6-18
0.544
MAR-TRE-1c920f6f-17
0.543
MAR-TRE-1c920f6f-15
0.528
MAR-TRE-1c920f6f-56
0.528
MAR-TRE-1c920f6f-19
0.526
MAR-TRE-14ce9fd6-79
0.523
MAR-TRE-1c920f6f-11
0.514
MAR-TRE-14ce9fd6-96
0.508
MAR-TRE-14ce9fd6-81
0.507
MAR-TRE-14ce9fd6-90
0.500
MAR-TRE-0fda4e82-36
0.481
MAR-TRE-14ce9fd6-11
0.479
MAR-TRE-14ce9fd6-91
0.476
MAR-TRE-14ce9fd6-40
0.474
MAR-TRE-1c920f6f-1
0.469
MAR-TRE-14ce9fd6-14
0.459
MAR-TRE-14ce9fd6-7
0.451
MAR-TRE-1c920f6f-58
0.446
MAR-TRE-14ce9fd6-6
0.440
MAR-TRE-14ce9fd6-12
0.440
MAR-TRE-14ce9fd6-42
0.436
MAR-TRE-14ce9fd6-5
0.417
MAR-TRE-14ce9fd6-93
0.410
MAR-TRE-1c920f6f-68
0.387
MAR-TRE-6c5ef77a-27
0.383
MAR-TRE-14ce9fd6-46
0.382
MAR-TRE-1c920f6f-13
0.372
MAR-TRE-1c920f6f-16
0.368
MAR-TRE-0fda4e82-46
0.337
MAR-TRE-14ce9fd6-15
0.309
MAR-TRE-1c920f6f-85
0.301
MAR-TRE-6c5ef77a-48
0.301
MAR-TRE-6c5ef77a-31
0.297
MAR-TRE-14ce9fd6-70
0.289
MAR-TRE-a3327163-24
0.279
MAR-TRE-a3327163-37
0.275
MAR-TRE-6c5ef77a-71
0.272
MAR-TRE-0fda4e82-6
0.265
MAR-TRE-a3327163-82
0.264
MAR-TRE-0fda4e82-30
0.260
MAR-TRE-14ce9fd6-86
0.260
MAR-TRE-6c5ef77a-89
0.257
MAR-TRE-14ce9fd6-4
0.256
MAR-TRE-6c5ef77a-18
0.253
MAR-TRE-a3327163-21
0.253
MAR-TRE-a3327163-1
0.253
MAR-TRE-1c920f6f-100
0.253
MAR-TRE-1c920f6f-94
0.250
MAR-TRE-a3327163-25
0.250
MAR-TRE-6c5ef77a-5
0.247
MAR-TRE-a3327163-71
0.245
MAR-TRE-1c920f6f-96
0.244
MAR-TRE-6c5ef77a-68
0.242
MAR-TRE-0fda4e82-31
0.242
MAR-TRE-0fda4e82-8
0.239
MAR-TRE-0fda4e82-42
0.237
MAR-TRE-6c5ef77a-84
0.235
MAR-TRE-1c920f6f-29
0.235
MAR-TRE-0fda4e82-82
0.235
MAR-TRE-6c5ef77a-8
0.235
MAR-TRE-a3327163-8
0.235
MAR-TRE-a3327163-11
0.232
MAR-TRE-0fda4e82-12
0.230
MAR-TRE-6c5ef77a-9
0.230
MAR-TRE-a3327163-41
0.229
MAR-TRE-a3327163-80
0.227
MAR-TRE-0fda4e82-53
0.227
MAR-TRE-a3327163-6
0.226
MAR-TRE-d0525fbf-93
0.226
MAR-TRE-0fda4e82-84
0.225
MAR-TRE-1c920f6f-10
0.224
MAR-TRE-fd17a9b8-23
0.222
MAR-TRE-1c920f6f-20
0.222
MAR-TRE-14ce9fd6-35
0.221
MAR-TRE-1c920f6f-53
0.221
MAR-TRE-4f781e27-98
0.220
MAR-TRE-14ce9fd6-50
0.220
MAR-TRE-a3327163-18
0.219
MAR-TRE-a3327163-29
0.218
MAR-TRE-1c920f6f-82
0.217
MAR-TRE-1c920f6f-95
0.217
MAR-TRE-1c920f6f-61
0.217
MAR-TRE-6c5ef77a-60
0.216
MAR-TRE-0fda4e82-69
0.215
MAR-TRE-14ce9fd6-65
0.215
MAR-TRE-1c920f6f-81
0.213
MAR-TRE-6c5ef77a-28
0.213
MAR-TRE-0fda4e82-5
0.213
MAR-TRE-14ce9fd6-83
0.213
MAR-TRE-14ce9fd6-2
0.212