Molecular Properties | |
SMILES: | Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)s1 |
MW: | 350.03 |
Fraction sp3: | 0.43 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.67 |
cLogP: | 3.39 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3779850440 |
MolPort: | MolPort-001-989-012 |
MAR-TRE-1c920f6f-60
0.753
MAR-TRE-1c920f6f-57
0.697
MAR-TRE-1c920f6f-45
0.671
MAR-TRE-0fda4e82-43
0.658
MAR-TRE-0fda4e82-18
0.610
MAR-TRE-1c920f6f-46
0.608
MAR-TRE-1c920f6f-21
0.605
MAR-TRE-1c920f6f-37
0.598
MAR-TRE-1c920f6f-12
0.595
PRO-INS-c91ddbbd-1
0.571
MAR-TRE-1c920f6f-7
0.561
MAR-TRE-1c920f6f-4
0.545
MAR-TRE-0fda4e82-61
0.543
MAR-TRE-1c920f6f-51
0.541
MAR-TRE-14ce9fd6-36
0.535
MAR-TRE-14ce9fd6-67
0.522
MAR-TRE-0fda4e82-20
0.518
MAR-TRE-a3327163-50
0.513
MAR-TRE-14ce9fd6-71
0.494
MAR-TRE-1c920f6f-32
0.488
MAR-TRE-0fda4e82-75
0.477
MAR-TRE-a3327163-27
0.469
MAR-TRE-0fda4e82-81
0.456
MAR-TRE-1c920f6f-8
0.411
MAR-TRE-1c920f6f-5
0.386
MAR-TRE-fd17a9b8-40
0.351
MAR-TRE-f5c2d31c-71
0.333
MAR-TRE-14ce9fd6-45
0.330
MAR-TRE-14ce9fd6-82
0.319
MAR-TRE-1c920f6f-69
0.315
MAR-TRE-f5c2d31c-32
0.312
MAR-TRE-14ce9fd6-55
0.312
MAR-TRE-14ce9fd6-69
0.312
MAR-TRE-6c5ef77a-78
0.306
MAR-TRE-a3327163-34
0.296
MAR-TRE-a3327163-61
0.293
MAR-TRE-a3327163-2
0.290
MAR-TRE-f5c2d31c-21
0.286
MAR-TRE-0fda4e82-38
0.284
MAR-TRE-6c5ef77a-26
0.284
MAR-TRE-a3327163-80
0.271
MAR-TRE-a3327163-32
0.266
MAR-TRE-a3327163-29
0.263
MAR-TRE-a3327163-20
0.260
MAR-TRE-a3327163-71
0.260
MAR-TRE-6c5ef77a-11
0.256
MAR-TRE-1c920f6f-66
0.255
MAR-TRE-1c920f6f-100
0.255
MAR-TRE-14ce9fd6-56
0.253
MAR-TRE-1c920f6f-20
0.253
MAR-TRE-0fda4e82-36
0.252
MAR-TRE-6c5ef77a-29
0.250
MAR-TRE-a3327163-42
0.247
MAR-TRE-0fda4e82-68
0.243
MAR-TRE-6c5ef77a-20
0.242
MAR-TRE-a3327163-88
0.242
MAR-TRE-a3327163-35
0.242
MAR-TRE-b77b7921-18
0.237
MAR-TRE-a3327163-11
0.237
MAR-TRE-1c920f6f-95
0.235
MAR-TRE-a3327163-53
0.234
MAR-TRE-0fda4e82-56
0.234
MAR-TRE-6c5ef77a-96
0.233
MAR-TRE-6c5ef77a-74
0.232
MAR-TRE-0fda4e82-53
0.231
MAR-TRE-1c920f6f-1
0.231
MAR-TRE-6c5ef77a-28
0.231
MAR-TRE-6c5ef77a-47
0.231
MAR-TRE-f5c2d31c-6
0.231
MAR-TRE-1c920f6f-62
0.230
MAR-TRE-1c920f6f-58
0.229
MAR-TRE-0fda4e82-42
0.229
MAR-TRE-a3327163-82
0.228
MAR-TRE-0fda4e82-6
0.227
MAR-TRE-6c5ef77a-33
0.225
MAR-TRE-a3327163-7
0.225
MAR-TRE-0fda4e82-100
0.223
MAR-TRE-6c5ef77a-22
0.222
MAR-TRE-6c5ef77a-68
0.221
MAR-TRE-1c920f6f-30
0.221
MAR-TRE-a3327163-12
0.221
MAR-TRE-6c5ef77a-17
0.220
MAR-TRE-f5c2d31c-64
0.219
MAR-TRE-0fda4e82-30
0.218
MAR-TRE-6c5ef77a-3
0.218
MAR-TRE-0fda4e82-60
0.217
MAR-TRE-74c6519b-44
0.216
MAR-TRE-a3327163-46
0.216
MAR-TRE-6c5ef77a-14
0.216
MAR-TRE-0fda4e82-33
0.216
MAR-TRE-14ce9fd6-27
0.216
MAR-TRE-6c5ef77a-32
0.215
MAR-TRE-0fda4e82-94
0.215
ALP-POS-95b75b4d-9
0.214
ABI-SAT-aa268ad7-11
0.214
MAR-TRE-a3327163-37
0.214
MAR-TRE-a3327163-43
0.214
MAR-TRE-1c920f6f-53
0.214
MAR-TRE-fd17a9b8-87
0.214
MAR-TRE-0fda4e82-2
0.214