Molecular Properties | |
SMILES: | C=CCSc1nc2c(cc1C#N)CCC2 |
MW: | 216.07 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.68 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7988818731 |
MolPort: | MolPort-000-921-286 |
isolated alkene
MAR-TRE-14ce9fd6-79
0.830
MAR-TRE-14ce9fd6-92
0.638
MAR-TRE-14ce9fd6-76
0.633
MAR-TRE-14ce9fd6-80
0.607
MAR-TRE-1c920f6f-38
0.607
MAR-TRE-14ce9fd6-18
0.585
MAR-TRE-0fda4e82-13
0.529
MAR-TRE-14ce9fd6-96
0.524
MAR-TRE-14ce9fd6-19
0.508
MAR-TRE-14ce9fd6-40
0.507
MAR-TRE-1c920f6f-25
0.500
MAR-TRE-14ce9fd6-20
0.500
MAR-TRE-14ce9fd6-81
0.500
MAR-TRE-14ce9fd6-90
0.493
MAR-TRE-14ce9fd6-22
0.485
MAR-TRE-14ce9fd6-12
0.472
MAR-TRE-14ce9fd6-11
0.471
MAR-TRE-1c920f6f-19
0.463
MAR-TRE-0fda4e82-68
0.463
MAR-TRE-1c920f6f-17
0.452
MAR-TRE-14ce9fd6-14
0.452
MAR-TRE-14ce9fd6-42
0.447
MAR-TRE-14ce9fd6-91
0.444
MAR-TRE-1c920f6f-15
0.440
MAR-TRE-1c920f6f-56
0.440
MAR-TRE-1c920f6f-11
0.429
MAR-TRE-14ce9fd6-5
0.408
MAR-TRE-14ce9fd6-93
0.402
MAR-TRE-14ce9fd6-7
0.393
MAR-TRE-1c920f6f-1
0.393
MAR-TRE-1c920f6f-58
0.388
MAR-TRE-0fda4e82-36
0.388
MAR-TRE-14ce9fd6-6
0.384
MAR-TRE-1c920f6f-68
0.378
MAR-TRE-14ce9fd6-46
0.373
MAR-TRE-0fda4e82-46
0.329
MAR-TRE-6c5ef77a-27
0.325
MAR-TRE-1c920f6f-16
0.325
MAR-TRE-1c920f6f-13
0.312
MAR-TRE-1c920f6f-85
0.310
MAR-TRE-14ce9fd6-70
0.263
MAR-TRE-14ce9fd6-15
0.253
MAR-TRE-a3327163-25
0.225
MAR-TRE-6c5ef77a-48
0.224
MAR-TRE-1c920f6f-61
0.222
MAR-TRE-6c5ef77a-31
0.221
MAR-TRE-14ce9fd6-86
0.218
MAR-TRE-a3327163-24
0.214
MAR-TRE-14ce9fd6-33
0.212
MAR-TRE-0fda4e82-6
0.212
MAR-TRE-a3327163-37
0.211
MAR-TRE-6c5ef77a-8
0.210
MAR-TRE-a3327163-41
0.205
MAR-TRE-6c5ef77a-71
0.202
MAR-TRE-1c920f6f-18
0.202
MAR-TRE-14ce9fd6-4
0.200
MAR-TRE-14ce9fd6-21
0.200
MAR-TRE-fd17a9b8-23
0.200
MAR-TRE-a3327163-82
0.200
MAR-TRE-0fda4e82-30
0.200
MAR-TRE-a3327163-71
0.198
MAR-TRE-6c5ef77a-84
0.198
MAR-TRE-14ce9fd6-35
0.198
MAR-TRE-a3327163-21
0.198
MAR-TRE-1c920f6f-96
0.196
MAR-TRE-1c920f6f-86
0.195
MAR-TRE-14ce9fd6-50
0.195
MAR-TRE-6c5ef77a-89
0.194
MAR-TRE-0fda4e82-12
0.193
MAR-TRE-14ce9fd6-53
0.193
MAR-TRE-0fda4e82-8
0.191
MAR-TRE-d0525fbf-93
0.191
MAR-TRE-14ce9fd6-65
0.190
MAR-TRE-0fda4e82-69
0.190
MAR-TRE-0fda4e82-42
0.189
MAR-TRE-a3327163-55
0.189
MAR-TRE-6c5ef77a-60
0.189
MAR-TRE-0fda4e82-84
0.189
MAR-TRE-1c920f6f-100
0.189
MAR-TRE-a3327163-1
0.189
MAR-TRE-4f781e27-98
0.188
MAR-TRE-14ce9fd6-10
0.186
MAR-TRE-1c920f6f-10
0.186
MAR-TRE-0fda4e82-82
0.184
MAR-TRE-1c920f6f-29
0.184
MAR-TRE-1c920f6f-94
0.184
MAR-TRE-0fda4e82-79
0.183
MAR-TRE-14ce9fd6-77
0.183
MAR-TRE-6c5ef77a-18
0.183
MAR-TRE-1c920f6f-82
0.183
MAT-POS-b5746674-124
0.183
MAR-TRE-0fda4e82-53
0.182
MAR-TRE-14ce9fd6-1
0.182
MAR-TRE-14ce9fd6-23
0.182
MAR-TRE-6c5ef77a-5
0.182
MAR-TRE-6c5ef77a-68
0.181
MAR-TRE-0fda4e82-31
0.181
MAR-TRE-a3327163-8
0.181
MAR-TRE-14ce9fd6-48
0.180
MAR-TRE-14ce9fd6-83
0.179