Molecular Properties | |
SMILES: | CC(=O)NC(Cc1ccc(Oc2ccccc2NC(=O)C2CCN(C(=O)CCl)CC2)cc1)C(=O)NCC#CBr |
MW: | 617.928 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 116.84 |
cLogP: | 3.414 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
triple bond
Filter9_metal
Long aliphatic chain
Dipeptide
LON-WEI-8f408cad-3
MAK-UNK-a7992eb3-6
0.577
MAK-UNK-a7992eb3-29
0.477
MAK-UNK-a7992eb3-8
0.467
MAK-UNK-a7992eb3-28
0.462
MAK-UNK-a7992eb3-25
0.460
MAK-UNK-a7992eb3-26
0.454
MAK-UNK-a7992eb3-18
0.439
MAK-UNK-a7992eb3-30
0.437
AAR-POS-d2a4d1df-16
0.424
MAK-UNK-a7992eb3-27
0.422
MAK-UNK-a7992eb3-5
0.421
MAK-UNK-a7992eb3-11
0.421
MAK-UNK-a7992eb3-7
0.413
LON-WEI-120e5cf5-16
0.402
MED-COV-4280ac29-17
0.402
MAR-TRE-6a44bbf2-15
0.396
AAR-POS-0daf6b7e-6
0.396
MAK-UNK-a7992eb3-4
0.388
MAK-UNK-a7992eb3-2
0.384
MAK-UNK-a7992eb3-1
0.382
NIM-UNI-ed9fc491-2
0.375
MAK-UNK-a7992eb3-9
0.372
MAK-UNK-3d7e3904-2
0.370
MAK-UNK-3d7e3904-3
0.370
NIM-UNI-ed9fc491-3
0.368
LON-WEI-120e5cf5-15
0.366
MAR-TRE-6a44bbf2-86
0.366
NIM-UNI-ed9fc491-1
0.366
YOI-UNK-15f562e8-1
0.358
NIC-BIO-7d400292-1
0.358
LON-WEI-120e5cf5-1
0.345
AAR-POS-5507155c-2
0.345
AAR-POS-f650c5f2-4
0.345
LON-WEI-120e5cf5-17
0.345
LON-WEI-120e5cf5-10
0.343
LON-WEI-120e5cf5-3
0.343
LON-WEI-120e5cf5-14
0.342
LON-WEI-120e5cf5-19
0.336
SAD-SAT-29425be4-13
0.336
NIC-BIO-b40446ce-1
0.333
NIC-BIO-3276ca7f-1
0.333
SAD-SAT-29425be4-10
0.331
MAK-UNK-c44f4be0-1
0.331
MAK-UNK-c44f4be0-10
0.331
NIC-BIO-3276ca7f-2
0.330
MAK-UNK-c97f7c8f-2
0.330
NIM-UNI-ed9fc491-4
0.328
MAK-UNK-69bf97dd-4
0.325
MAK-UNK-c44f4be0-14
0.325
NIC-BIO-3276ca7f-3
0.325
LON-WEI-120e5cf5-12
0.325
LON-WEI-120e5cf5-20
0.324
MAK-UNK-c44f4be0-4
0.323
LON-WEI-120e5cf5-11
0.321
MAK-UNK-c44f4be0-9
0.320
LON-WEI-120e5cf5-2
0.319
SAD-SAT-29425be4-29
0.317
SAD-SAT-29425be4-15
0.316
NIC-BIO-a68395b7-1
0.316
LON-WEI-120e5cf5-9
0.314
SAD-SAT-29425be4-6
0.313
SAD-SAT-29425be4-28
0.313
LON-WEI-120e5cf5-21
0.312
MAK-UNK-c97f7c8f-1
0.312
LON-WEI-120e5cf5-7
0.311
LON-WEI-120e5cf5-18
0.311
NIC-BIO-a68395b7-4
0.310
MAK-UNK-c44f4be0-8
0.310
SAD-SAT-29425be4-23
0.308
SAD-SAT-29425be4-9
0.306
MAK-UNK-c44f4be0-3
0.305
LON-WEI-120e5cf5-4
0.304
MAK-UNK-c44f4be0-11
0.304
LON-WEI-120e5cf5-13
0.304
MAK-UNK-1bb0b7ee-13
0.302
MAK-UNK-69bf97dd-5
0.301
MAK-UNK-c44f4be0-2
0.300
NIC-BIO-a68395b7-5
0.300
NIC-BIO-a68395b7-3
0.300
SAD-SAT-29425be4-3
0.299
LON-WEI-120e5cf5-6
0.297
MAK-UNK-c44f4be0-7
0.296
YOI-UNK-12211982-6
0.296
YOI-UNK-a533afbc-6
0.296
SAD-SAT-29425be4-20
0.293
NIC-BIO-a68395b7-2
0.292
SAD-SAT-29425be4-12
0.292
MAK-UNK-69bf97dd-8
0.292
ASH-SAT-43770c7d-7
0.290
MAK-UNK-69bf97dd-7
0.287
MAK-UNK-750cfbcc-2
0.286
SAD-SAT-29425be4-4
0.286
MAK-UNK-a7992eb3-21
0.282
MAK-UNK-69bf97dd-6
0.280
SAD-SAT-29425be4-19
0.280
SAD-SAT-29425be4-14
0.278
JAR-IMP-ed466bb3-12
0.276
MAK-UNK-69bf97dd-10
0.276
SAD-SAT-29425be4-25
0.276
LON-WEI-120e5cf5-5
0.275