Molecular Properties | |
SMILES: | CCCOc1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)cc1 |
MW: | 343.11 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 113.92 |
cLogP: | 2.45 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7962996201 |
MolPort: | MolPort-008-388-055 |
aniline
MAR-TRE-6c5ef77a-45
0.554
MAR-TRE-6c5ef77a-58
0.554
MAR-TRE-6c5ef77a-22
0.506
MAR-TRE-a3327163-46
0.506
MAR-TRE-0fda4e82-1
0.465
MAR-TRE-a3327163-33
0.439
MAR-TRE-6c5ef77a-64
0.432
MAR-TRE-a3327163-43
0.429
MAR-TRE-0fda4e82-34
0.425
MAR-TRE-6c5ef77a-8
0.420
MAR-TRE-6c5ef77a-12
0.419
MAR-TRE-6c5ef77a-67
0.409
MAR-TRE-6c5ef77a-1
0.407
MAR-TRE-a3327163-82
0.404
MAR-TRE-a3327163-71
0.389
MAR-TRE-6c5ef77a-16
0.387
MAR-TRE-f5c2d31c-76
0.386
MAR-TRE-a3327163-32
0.379
MAR-TRE-f5c2d31c-10
0.373
MAR-TRE-0fda4e82-5
0.372
MAR-TRE-0fda4e82-72
0.372
MAR-TRE-a3327163-88
0.363
MAR-TRE-0fda4e82-4
0.361
MAR-TRE-a3327163-42
0.360
MAR-TRE-0fda4e82-11
0.353
MAR-TRE-6c5ef77a-74
0.352
MAR-TRE-a3327163-9
0.351
MAR-TRE-1c920f6f-75
0.349
MAR-TRE-0fda4e82-14
0.349
MAR-TRE-0fda4e82-81
0.349
MAR-TRE-0fda4e82-31
0.347
MAR-TRE-a3327163-40
0.346
MAR-TRE-a3327163-53
0.345
MAR-TRE-0fda4e82-56
0.345
MAR-TRE-1c920f6f-20
0.344
MAR-TRE-0fda4e82-76
0.344
MAR-TRE-1c920f6f-97
0.337
MAR-TRE-6c5ef77a-92
0.337
MAR-TRE-0fda4e82-96
0.337
MAR-TRE-1c920f6f-47
0.333
MAR-TRE-6c5ef77a-66
0.330
MAR-TRE-a3327163-20
0.326
MAR-TRE-1c920f6f-100
0.319
MAR-TRE-f5c2d31c-97
0.319
MAR-TRE-1c920f6f-65
0.316
MAR-TRE-f5c2d31c-44
0.315
MAR-TRE-1c920f6f-42
0.311
MAR-TRE-6c5ef77a-32
0.310
MAR-TRE-1c920f6f-95
0.309
GAB-FAC-da17721d-1
0.305
MAR-TRE-6c5ef77a-47
0.303
MAR-TRE-f5c2d31c-6
0.303
MAR-TRE-14ce9fd6-27
0.302
MAR-TRE-14ce9fd6-7
0.301
MAR-TRE-1c920f6f-19
0.301
MAR-TRE-0fda4e82-94
0.297
MAR-TRE-1c920f6f-26
0.296
MAR-TRE-14ce9fd6-6
0.295
MAR-TRE-a3327163-35
0.293
MAR-TRE-1c920f6f-30
0.293
MAR-TRE-14ce9fd6-37
0.293
MAR-TRE-14ce9fd6-59
0.293
MAR-TRE-14ce9fd6-43
0.292
MAR-TRE-f5c2d31c-17
0.289
MAR-TRE-0fda4e82-59
0.284
MAR-TRE-f5c2d31c-15
0.284
MAR-TRE-1c920f6f-4
0.280
MAR-TRE-6c5ef77a-46
0.278
MAR-TRE-d0525fbf-93
0.277
MAR-TRE-14ce9fd6-78
0.277
MAR-TRE-1c920f6f-44
0.276
MAR-TRE-0fda4e82-47
0.276
MAR-TRE-6c5ef77a-24
0.274
MAR-TRE-6c5ef77a-55
0.274
MAT-POS-b5746674-69
0.271
MAR-TRE-0fda4e82-100
0.270
MAR-TRE-6c5ef77a-51
0.267
MAR-TRE-a3327163-34
0.267
MAR-TRE-0fda4e82-29
0.267
MAR-TRE-0fda4e82-84
0.265
MAR-TRE-6c5ef77a-25
0.265
MAR-TRE-a3327163-48
0.265
MAR-TRE-14ce9fd6-68
0.265
MAR-TRE-6c5ef77a-17
0.264
MAR-TRE-fd17a9b8-97
0.264
MAR-TRE-a3327163-61
0.263
MAR-TRE-d0525fbf-82
0.263
MAR-TRE-a3327163-54
0.262
MAR-TRE-7f7bb9f0-20
0.261
MAR-TRE-3e4e6814-58
0.260
MAR-TRE-1c920f6f-5
0.259
MAK-UNK-9955b1f3-11
0.256
MAR-TRE-7f7bb9f0-90
0.255
MAR-TRE-6c5ef77a-26
0.255
MAR-TRE-dab8f6ea-34
0.255
PET-SGC-cb62ec31-1
0.253
MAR-TRE-f5c2d31c-67
0.253
MAR-TRE-a3327163-50
0.253
MAR-TRE-6c5ef77a-20
0.253
MAR-TRE-0fda4e82-97
0.250