Molecular Properties | |
SMILES: | C=CC(=O)NC(C(=O)NCc1ccc2ccccc2c1)c1cccnc1 |
MW: | 345.15 |
Fraction sp3: | 0.1 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 71.09 |
cLogP: | 2.89 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-11
NIM-UNI-bb9030bf-1
0.662
NIM-UNI-bb9030bf-3
0.658
NIM-UNI-bb9030bf-2
0.613
NIM-UNI-bb9030bf-9
0.570
NIM-UNI-bb9030bf-7
0.563
NIM-UNI-bb9030bf-6
0.560
NIM-UNI-bb9030bf-15
0.556
NIM-UNI-bb9030bf-4
0.554
NIM-UNI-bb9030bf-14
0.543
NIM-UNI-bb9030bf-13
0.543
NIM-UNI-bb9030bf-11
0.488
NIM-UNI-bb9030bf-5
0.487
NIM-UNI-bb9030bf-16
0.486
RAL-MED-9a5eb9cb-7
0.482
NIM-UNI-bb9030bf-12
0.477
NIM-UNI-bb9030bf-10
0.477
NIM-NMI-8bb27a2b-9
0.355
NIM-NMI-8bb27a2b-26
0.352
NIM-NMI-8bb27a2b-10
0.346
LON-WEI-af038623-8
0.340
NIM-NMI-8bb27a2b-13
0.339
NIM-NMI-8bb27a2b-14
0.327
LON-WEI-adc59df6-40
0.324
LON-WEI-af038623-2
0.321
NIM-NMI-8bb27a2b-20
0.321
LON-WEI-adc59df6-20
0.318
LON-WEI-adc59df6-28
0.317
LON-WEI-adc59df6-23
0.315
NIM-NMI-8bb27a2b-28
0.315
NIM-NMI-8bb27a2b-27
0.312
RAL-MED-9a5eb9cb-6
0.312
LON-WEI-adc59df6-36
0.311
MAR-TRE-2fd8122f-56
0.310
ALV-UNI-7ff1a6f9-45
0.301
RAL-MED-9a5eb9cb-14
0.300
NIM-NMI-8bb27a2b-4
0.299
NAU-LAT-64f4b287-9
0.298
NIM-NMI-8bb27a2b-2
0.296
ALP-POS-02c6a514-57
0.296
MAT-POS-3d050446-1
0.293
ALV-UNI-7ff1a6f9-46
0.292
NIM-NMI-8bb27a2b-12
0.291
NIR-WEI-f9286bb6-3
0.290
BRU-LEF-e1854a6f-1
0.290
NIM-NMI-8bb27a2b-11
0.287
ERI-UCB-fbdd3ea1-9
0.287
LON-WEI-adc59df6-3
0.286
LON-WEI-8f408cad-10
0.283
WAR-XCH-b0339bbe-15
0.283
JUA-UNI-a9dfaed1-7
0.280
BRU-LEF-973da26b-1
0.280
RAL-MED-9a5eb9cb-8
0.280
MAR-TRE-92684b97-2
0.280
RAL-MED-9a5eb9cb-10
0.280
NIM-NMI-8bb27a2b-5
0.279
LON-WEI-b8d98729-23
0.279
ALV-UNI-7ff1a6f9-47
0.278
MAR-TRE-04c86cea-90
0.277
ALP-POS-88a7a97e-4
0.277
MAR-TRE-9d18ae8c-28
0.277
LON-WEI-adc59df6-38
0.276
KEI-TRE-d5e2018a-73
0.276
LON-WEI-babf2c61-10
0.276
ALP-POS-b0bc6a46-22
0.276
ALP-POS-02c6a514-37
0.276
MAR-TRE-9d18ae8c-60
0.276
LON-WEI-adc59df6-78
0.275
LON-WEI-d1c9908a-7
0.275
LON-WEI-adc59df6-13
0.275
LON-WEI-adc59df6-30
0.275
ERI-UCB-fbdd3ea1-13
0.274
LON-WEI-b8d98729-15
0.274
NIM-NMI-8bb27a2b-8
0.274
LON-WEI-adc59df6-68
0.273
LON-WEI-adc59df6-87
0.273
MAR-TRE-c8530538-71
0.273
LON-WEI-b8d98729-47
0.273
ALP-POS-88a7a97e-8
0.272
MAR-TRE-c8530538-76
0.272
LON-WEI-adc59df6-72
0.272
NIM-NMI-8bb27a2b-24
0.271
NIM-NMI-8bb27a2b-3
0.271
MAK-UNK-10dfa458-36
0.271
ALV-UNI-7ff1a6f9-48
0.271
LON-WEI-b8d98729-12
0.270
LON-WEI-b8d98729-27
0.270
RIT-AID-af4ac3d4-1
0.270
OLE-CAR-5b17bec5-6
0.270
ALP-POS-780445ae-5
0.270
NIR-WEI-f9286bb6-2
0.269
ERI-UCB-fbdd3ea1-28
0.269
LON-WEI-adc59df6-62
0.269
LON-WEI-adc59df6-63
0.269
LON-WEI-adc59df6-71
0.269
LON-WEI-adc59df6-103
0.269
NIM-NMI-8bb27a2b-16
0.269
MAK-UNK-0955449e-3
0.269
WIL-UNI-de614146-10
0.268
WIL-UNI-de614146-15
0.268
SID-ELM-433ea7f3-4
0.267