Molecular Properties | |
SMILES: | Cc1nnc(SCc2ccc(C#N)cc2)[nH]1 |
MW: | 230.06 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.36 |
cLogP: | 2.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9701275962 |
MolPort: | MolPort-002-305-862 |
MAR-TRE-1c920f6f-39
0.550
MAR-TRE-14ce9fd6-55
0.491
MAR-TRE-14ce9fd6-21
0.439
MAR-TRE-14ce9fd6-29
0.436
MAR-TRE-14ce9fd6-38
0.433
MAR-TRE-14ce9fd6-33
0.433
MAR-TRE-14ce9fd6-13
0.426
MAR-TRE-14ce9fd6-73
0.414
MAR-TRE-14ce9fd6-44
0.391
MAR-TRE-1c920f6f-43
0.382
MAR-TRE-14ce9fd6-34
0.373
MAR-TRE-14ce9fd6-35
0.371
MAR-TRE-14ce9fd6-47
0.371
MAR-TRE-1c920f6f-27
0.368
MAR-TRE-14ce9fd6-9
0.366
MAR-TRE-14ce9fd6-41
0.366
MAR-TRE-14ce9fd6-84
0.364
MAR-TRE-14ce9fd6-62
0.357
MAR-TRE-14ce9fd6-8
0.342
MAR-TRE-14ce9fd6-65
0.299
MAR-TRE-1c920f6f-97
0.284
MAR-TRE-a3327163-37
0.274
MAR-TRE-2fd8122f-69
0.270
MAR-TRE-14ce9fd6-77
0.268
MAR-TRE-14ce9fd6-50
0.264
MAK-UNK-f983951f-23
0.262
MAR-TRE-0fda4e82-81
0.260
MAR-TRE-0fda4e82-14
0.260
NEL-UNI-1464a899-8
0.257
MAR-TRE-1c920f6f-31
0.257
MAR-TRE-0fda4e82-11
0.247
NEL-UNI-1464a899-3
0.246
MAR-TRE-0fda4e82-23
0.244
MAR-TRE-0fda4e82-77
0.243
MAR-TRE-14ce9fd6-48
0.241
MAR-TRE-a3327163-53
0.240
MAR-TRE-0fda4e82-56
0.240
MAR-TRE-14ce9fd6-57
0.240
LON-WEI-4d77710c-32
0.239
LON-WEI-5e7d1b3e-32
0.239
MAR-TRE-0fda4e82-62
0.239
TRY-UNI-1fd04853-8
0.237
MAK-UNK-be3f299e-6
0.236
MAK-UNK-6ca90168-14
0.235
DRR-IMP-38dce17f-7
0.235
MAR-TRE-1c920f6f-22
0.233
MAR-TRE-1c920f6f-52
0.232
MAR-TRE-1c920f6f-65
0.232
ABI-SAT-aa268ad7-2
0.231
MAR-TRE-a3327163-32
0.231
MAR-TRE-a3327163-43
0.231
MAR-TRE-1c920f6f-86
0.228
MAR-TRE-14ce9fd6-15
0.228
MAR-TRE-14ce9fd6-23
0.228
RAL-THA-2d450e86-5
0.228
MAK-UNK-9955b1f3-5
0.227
MAR-TRE-0fda4e82-10
0.227
MAR-TRE-6c5ef77a-31
0.225
MAR-TRE-a3327163-42
0.224
MAR-TRE-14ce9fd6-12
0.222
AAR-POS-d2a4d1df-21
0.222
MAR-TRE-1c920f6f-14
0.221
MAR-TRE-14ce9fd6-4
0.219
MAR-TRE-a3327163-24
0.219
NIC-BIO-a68395b7-2
0.218
MAR-TRE-14ce9fd6-31
0.218
MAR-TRE-a3327163-90
0.218
AAR-POS-d2a4d1df-5
0.217
SWA-SYN-6423ea73-7
0.216
SWA-SYN-d2e6fa14-7
0.216
ABI-SAT-aa268ad7-11
0.216
MAR-TRE-14ce9fd6-18
0.215
MAR-TRE-14ce9fd6-24
0.212
MAR-TRE-6c5ef77a-93
0.212
MAR-TRE-14ce9fd6-28
0.212
MAR-TRE-1c920f6f-61
0.212
MAR-TRE-e86a56b5-80
0.211
MAR-TRE-1c920f6f-75
0.211
MAT-POS-ea426761-10
0.209
LON-WEI-5e7d1b3e-68
0.209
LON-WEI-4d77710c-68
0.209
MAK-UNK-7732b35b-1
0.208
MAR-TRE-1c920f6f-34
0.207
MAR-TRE-6c5ef77a-26
0.207
MAR-TRE-14ce9fd6-58
0.207
MAK-UNK-7732b35b-11
0.206
MAR-TRE-92684b97-69
0.205
KEI-TRE-fa9ada3e-18
0.205
MAR-TRE-6c5ef77a-78
0.203
MAR-TRE-0fda4e82-30
0.203
MAR-TRE-a3327163-50
0.203
MAR-TRE-14ce9fd6-16
0.202
PET-SGC-cb62ec31-1
0.200
MAK-UNK-9955b1f3-17
0.200
MAR-TRE-14ce9fd6-25
0.200
MAR-TRE-0fda4e82-18
0.198
MAR-TRE-1c920f6f-96
0.198
MAT-POS-b5746674-117
0.198
MAR-TRE-9d18ae8c-87
0.197
PET-SGC-9a4d8c0f-1
0.197