Molecular Properties | |
SMILES: | C=CC(=O)NC(C(=O)NCc1ccc[nH]1)c1cccnc1 |
MW: | 284.13 |
Fraction sp3: | 0.13 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 86.88 |
cLogP: | 1.07 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-11
NIM-UNI-bb9030bf-4
0.631
NIM-UNI-bb9030bf-1
0.629
NIM-UNI-bb9030bf-6
0.612
NIM-UNI-bb9030bf-14
0.611
NIM-UNI-bb9030bf-7
0.608
NIM-UNI-bb9030bf-3
0.603
NIM-UNI-bb9030bf-15
0.603
NIM-UNI-bb9030bf-2
0.579
NIM-UNI-bb9030bf-5
0.552
NIM-UNI-bb9030bf-11
0.547
NIM-UNI-bb9030bf-8
0.543
NIM-UNI-bb9030bf-9
0.537
NIM-UNI-bb9030bf-10
0.532
NIM-UNI-bb9030bf-16
0.531
NIM-UNI-bb9030bf-12
0.512
RAL-MED-9a5eb9cb-7
0.481
LON-WEI-adc59df6-28
0.347
MAK-UNK-ca11b4f7-2
0.338
LON-WEI-adc59df6-23
0.317
LON-WEI-adc59df6-30
0.315
LON-WEI-adc59df6-80
0.315
RAL-MED-9a5eb9cb-6
0.315
LON-WEI-adc59df6-3
0.315
LON-WEI-adc59df6-36
0.313
LON-WEI-adc59df6-40
0.313
LON-WEI-adc59df6-72
0.312
NIM-NMI-8bb27a2b-20
0.310
NIM-NMI-8bb27a2b-24
0.309
MAK-UNK-2c1752f0-2
0.309
BAR-COM-4e090d3a-68
0.308
RAL-MED-9a5eb9cb-10
0.308
AUS-ARG-7cfdce8f-11
0.308
LON-WEI-adc59df6-20
0.307
ALE-HEI-f28a35b5-14
0.307
LON-WEI-adc59df6-21
0.304
NIM-NMI-8bb27a2b-28
0.304
LON-WEI-adc59df6-29
0.302
LON-WEI-adc59df6-31
0.302
RAL-MED-9a5eb9cb-14
0.301
NIM-NMI-8bb27a2b-4
0.300
LON-WEI-adc59df6-91
0.299
NAU-LAT-64f4b287-9
0.299
NIM-NMI-8bb27a2b-10
0.298
LON-WEI-b8d98729-7
0.298
LON-WEI-adc59df6-68
0.297
LON-WEI-adc59df6-26
0.296
NIM-NMI-8bb27a2b-19
0.296
LON-WEI-adc59df6-17
0.296
JOH-IMS-62aeb97d-5
0.296
LON-WEI-b8d98729-12
0.294
LON-WEI-8f408cad-8
0.293
MAT-POS-3d050446-1
0.293
MAR-TRE-9c797165-57
0.293
BRU-LEF-973da26b-1
0.293
NIM-NMI-8bb27a2b-16
0.293
NIM-NMI-8bb27a2b-13
0.292
ADA-UNI-f8e79267-5
0.291
BAR-COM-21d20d65-3
0.290
NIR-WEI-f9286bb6-3
0.290
LON-WEI-adc59df6-41
0.290
LON-WEI-adc59df6-27
0.290
NIM-NMI-8bb27a2b-27
0.290
ALE-HEI-f28a35b5-15
0.289
LON-WEI-adc59df6-69
0.289
LON-WEI-b8d98729-10
0.289
LON-WEI-adc59df6-82
0.289
MAK-UNK-c749d764-14
0.287
LON-WEI-adc59df6-10
0.287
LON-WEI-adc59df6-78
0.287
ERI-UCB-fbdd3ea1-9
0.287
NIM-NMI-8bb27a2b-11
0.287
LON-WEI-d1c9908a-7
0.287
MAR-TRE-67513f76-81
0.286
MAR-TRE-67513f76-93
0.286
MAR-TRE-d0525fbf-64
0.286
RAL-MED-9a5eb9cb-9
0.286
ERI-UCB-fbdd3ea1-13
0.286
LON-WEI-adc59df6-87
0.284
NIM-NMI-8bb27a2b-18
0.284
LON-WEI-b8d98729-47
0.284
NIM-NMI-8bb27a2b-2
0.284
NIM-NMI-8bb27a2b-23
0.284
LON-WEI-b8d98729-6
0.284
RAL-MED-9a5eb9cb-12
0.284
ERI-UCB-fbdd3ea1-4
0.284
ADA-UNI-f8e79267-4
0.284
MAK-UNK-a7b37c5e-1
0.284
LON-WEI-adc59df6-19
0.283
LON-WEI-adc59df6-86
0.283
MAR-TRE-67513f76-92
0.283
MAR-TRE-d0525fbf-91
0.282
SAD-SAT-24589cd1-4
0.282
NIM-NMI-8bb27a2b-14
0.282
RIT-AID-af4ac3d4-1
0.282
LON-WEI-b8d98729-27
0.282
LON-WEI-adc59df6-44
0.281
NIR-WEI-f9286bb6-2
0.281
MED-UNK-e6e8ef8a-1
0.280
RAL-MED-9a5eb9cb-8
0.280
LON-WEI-adc59df6-62
0.280