Molecular Properties | |
SMILES: | C=CC(=O)NC(C(=O)NCc1cc2ccccc2o1)c1cccnc1 |
MW: | 335.13 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 84.23 |
cLogP: | 2.49 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-11
NIM-UNI-bb9030bf-15
0.628
NIM-UNI-bb9030bf-14
0.575
NIM-UNI-bb9030bf-8
0.570
NIM-UNI-bb9030bf-1
0.570
NIM-UNI-bb9030bf-7
0.557
NIM-UNI-bb9030bf-4
0.547
NIM-UNI-bb9030bf-11
0.537
NIM-UNI-bb9030bf-13
0.537
NIM-UNI-bb9030bf-6
0.532
NIM-UNI-bb9030bf-3
0.530
NIM-UNI-bb9030bf-10
0.524
NIM-UNI-bb9030bf-2
0.512
NIM-UNI-bb9030bf-5
0.500
NIM-UNI-bb9030bf-12
0.489
NIM-UNI-bb9030bf-16
0.459
RAL-MED-9a5eb9cb-7
0.442
MAR-TRE-4f781e27-93
0.333
NIM-NMI-8bb27a2b-10
0.306
LON-WEI-adc59df6-28
0.302
LON-WEI-adc59df6-40
0.296
NIM-NMI-8bb27a2b-4
0.296
ERI-UCB-fbdd3ea1-9
0.296
RAL-MED-9a5eb9cb-6
0.296
ERI-UCB-fbdd3ea1-13
0.295
NIM-NMI-8bb27a2b-20
0.294
NIM-NMI-8bb27a2b-9
0.293
ERI-UCB-fbdd3ea1-31
0.291
NIM-NMI-8bb27a2b-13
0.289
LON-WEI-af038623-2
0.287
NIR-WEI-f9286bb6-3
0.287
LON-WEI-adc59df6-29
0.286
LON-WEI-adc59df6-36
0.284
NIM-NMI-8bb27a2b-11
0.284
ERI-UCB-fbdd3ea1-30
0.284
LON-WEI-adc59df6-30
0.284
RAL-MED-9a5eb9cb-14
0.284
NIM-NMI-8bb27a2b-8
0.282
NIM-NMI-8bb27a2b-2
0.282
LON-WEI-adc59df6-19
0.281
LON-WEI-adc59df6-32
0.281
LON-WEI-adc59df6-17
0.280
NIM-NMI-8bb27a2b-3
0.280
NIM-NMI-8bb27a2b-24
0.280
NIM-NMI-8bb27a2b-14
0.280
LON-WEI-adc59df6-20
0.279
NIR-WEI-f9286bb6-2
0.279
NIM-NMI-8bb27a2b-26
0.278
RAL-MED-9a5eb9cb-8
0.278
LON-WEI-adc59df6-23
0.277
NIM-NMI-8bb27a2b-5
0.277
NIM-NMI-8bb27a2b-12
0.277
NIM-NMI-8bb27a2b-28
0.277
LON-WEI-b8d98729-23
0.276
NIM-NMI-8bb27a2b-27
0.276
BRU-LEF-e1854a6f-1
0.275
LON-WEI-adc59df6-21
0.275
ALP-POS-88a7a97e-4
0.274
LON-WEI-babf2c61-10
0.274
LON-WEI-adc59df6-10
0.273
ERI-UCB-fbdd3ea1-7
0.273
LON-WEI-adc59df6-101
0.271
ALP-POS-02c6a514-57
0.270
LON-WEI-adc59df6-68
0.270
LON-WEI-adc59df6-3
0.270
LON-POS-586a7c45-1
0.270
PAU-WEI-5b8d5051-1
0.270
LON-WEI-adc59df6-47
0.270
LON-WEI-8f408cad-10
0.270
MAR-TRE-c8530538-76
0.269
LON-WEI-adc59df6-72
0.269
LON-WEI-adc59df6-26
0.269
LON-WEI-adc59df6-79
0.269
JAN-GHE-d851b096-9
0.269
NIM-NMI-8bb27a2b-19
0.269
ALP-POS-ced8ea4d-5
0.268
ERI-UCB-fbdd3ea1-6
0.268
ALP-POS-ced8ea4d-7
0.267
LON-WEI-babf2c61-9
0.267
LON-WEI-adc59df6-62
0.266
LON-WEI-adc59df6-63
0.266
BRU-LEF-973da26b-1
0.266
ALP-POS-88a7a97e-7
0.266
ERI-UCB-fbdd3ea1-12
0.266
LON-WEI-adc59df6-71
0.266
NIM-NMI-8bb27a2b-16
0.266
LON-WEI-b8d98729-46
0.265
MAT-POS-3d050446-1
0.265
RAL-MED-9a5eb9cb-10
0.265
LON-WEI-adc59df6-96
0.264
ERI-UCB-fbdd3ea1-11
0.264
ERI-UCB-fbdd3ea1-18
0.264
LON-WEI-adc59df6-27
0.264
ERI-UCB-fbdd3ea1-20
0.264
LON-WEI-adc59df6-37
0.263
ERI-UCB-fbdd3ea1-5
0.263
NIM-NMI-8bb27a2b-1
0.263
NIM-NMI-8bb27a2b-25
0.263
ALP-POS-02c6a514-37
0.263
ALP-POS-b0bc6a46-22
0.263
MAK-UNK-ca11b4f7-2
0.263