Molecular Properties | |
SMILES: | CCOC(=O)c1ccc(NC(=O)CSc2ncccc2C#N)cc1 |
MW: | 341.08 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 92.08 |
cLogP: | 2.86 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7202517903 |
MolPort: | MolPort-002-312-753 |
Ester
MAR-TRE-0fda4e82-76
0.797
MAR-TRE-6c5ef77a-64
0.736
MAR-TRE-6c5ef77a-67
0.708
MAR-TRE-6c5ef77a-58
0.684
MAR-TRE-1c920f6f-47
0.676
MAR-TRE-6c5ef77a-66
0.667
MAR-TRE-1c920f6f-42
0.648
MAR-TRE-14ce9fd6-27
0.632
MAR-TRE-14ce9fd6-43
0.597
MAR-TRE-1c920f6f-26
0.595
MAR-TRE-1c920f6f-30
0.588
MAR-TRE-6c5ef77a-46
0.577
MAR-TRE-6c5ef77a-26
0.564
MAR-TRE-1c920f6f-44
0.550
MAR-TRE-0fda4e82-47
0.550
MAR-TRE-6c5ef77a-51
0.549
MAR-TRE-0fda4e82-29
0.549
MAR-TRE-14ce9fd6-37
0.549
MAR-TRE-1c920f6f-3
0.545
MAR-TRE-0fda4e82-89
0.543
MAR-TRE-6c5ef77a-55
0.540
MAR-TRE-6c5ef77a-20
0.537
MAR-TRE-6c5ef77a-14
0.531
MAR-TRE-6c5ef77a-96
0.530
MAR-TRE-6c5ef77a-33
0.524
MAR-TRE-a3327163-15
0.519
MAR-TRE-0fda4e82-90
0.518
MAR-TRE-1c920f6f-74
0.506
MAR-TRE-14ce9fd6-1
0.481
MAR-TRE-1c920f6f-49
0.477
MAR-TRE-6c5ef77a-93
0.429
MAR-TRE-1c920f6f-10
0.422
MAR-TRE-0fda4e82-31
0.411
MAR-TRE-a3327163-82
0.409
MAR-TRE-1c920f6f-20
0.409
MAR-TRE-1c920f6f-100
0.398
MAR-TRE-a3327163-71
0.394
MAR-TRE-a3327163-88
0.382
MAR-TRE-6c5ef77a-35
0.372
MAR-TRE-1c920f6f-82
0.370
MAR-TRE-1c920f6f-75
0.369
MAR-TRE-6c5ef77a-12
0.365
LON-WEI-5e7d1b3e-74
0.358
LON-WEI-4d77710c-74
0.358
MAR-TRE-6c5ef77a-74
0.356
MAR-TRE-1c920f6f-95
0.355
MAR-TRE-a3327163-43
0.352
MAR-TRE-a3327163-42
0.349
MAR-TRE-6c5ef77a-16
0.347
MAR-TRE-14ce9fd6-59
0.346
MAR-TRE-0fda4e82-96
0.340
MAR-TRE-6c5ef77a-32
0.340
MAR-TRE-0fda4e82-81
0.337
LON-WEI-4d77710c-12
0.337
LON-WEI-5e7d1b3e-12
0.337
MAR-TRE-a3327163-34
0.337
MAR-TRE-0fda4e82-38
0.337
MAR-TRE-a3327163-40
0.333
MAR-TRE-a3327163-53
0.333
MAR-TRE-0fda4e82-56
0.333
MAR-TRE-14ce9fd6-7
0.330
MAR-TRE-1c920f6f-19
0.330
MAR-TRE-14ce9fd6-78
0.329
MAR-TRE-6c5ef77a-92
0.326
MAR-TRE-0fda4e82-11
0.326
MAR-TRE-14ce9fd6-6
0.324
MAR-TRE-a3327163-32
0.322
MAR-TRE-d0525fbf-93
0.320
MAR-TRE-1c920f6f-65
0.319
MAR-TRE-0fda4e82-59
0.313
MAR-TRE-a3327163-5
0.313
MAR-TRE-6c5ef77a-40
0.312
MAR-TRE-1c920f6f-97
0.311
MAR-TRE-0fda4e82-63
0.309
MAR-TRE-0fda4e82-14
0.307
MAR-TRE-f5c2d31c-6
0.306
MAR-TRE-6c5ef77a-47
0.306
MAR-TRE-f5c2d31c-76
0.301
MAR-TRE-a3327163-20
0.301
MAR-TRE-6c5ef77a-37
0.301
MAR-TRE-a3327163-48
0.300
MAR-TRE-0fda4e82-94
0.300
MAR-TRE-14ce9fd6-68
0.300
MAR-TRE-f5c2d31c-10
0.299
MAR-TRE-a3327163-35
0.297
MAR-TRE-a3327163-54
0.296
MAR-TRE-a3327163-24
0.295
MAR-TRE-a3327163-61
0.293
MAR-TRE-0fda4e82-6
0.293
IND-SYN-64980207-1
0.292
IND-SYN-6c8299e8-11
0.292
MAR-TRE-6c5ef77a-17
0.291
MAR-TRE-a3327163-37
0.291
MAR-TRE-14ce9fd6-61
0.287
MAR-TRE-a3327163-18
0.284
MAR-TRE-6c5ef77a-68
0.283
MAR-TRE-a3327163-50
0.283
MAR-TRE-6c5ef77a-45
0.280
MAR-TRE-0fda4e82-82
0.280
MAR-TRE-f5c2d31c-17
0.278