Molecular Properties | |
SMILES: | CCC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1 |
MW: | 457.452 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.53 |
cLogP: | 5.232 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
AAR-POS-0daf6b7e-21
RAL-MED-9a5eb9cb-4
0.733
LON-WEI-b8d98729-27
0.729
RAL-MED-9a5eb9cb-5
0.692
ERI-UCB-fbdd3ea1-3
0.626
RIT-AID-af4ac3d4-1
0.615
LON-WEI-d1c9908a-7
0.611
NIM-NMI-8bb27a2b-25
0.602
BRU-LEF-973da26b-1
0.554
RAL-MED-9a5eb9cb-9
0.549
LON-WEI-b8d98729-12
0.547
RAL-MED-9a5eb9cb-3
0.543
LON-WEI-b8d98729-47
0.537
LON-WEI-d1c9908a-5
0.520
RAL-MED-9a5eb9cb-6
0.517
BRU-LEF-e1854a6f-1
0.516
LON-WEI-b8d98729-37
0.515
RAL-MED-9a5eb9cb-14
0.511
RAL-MED-9a5eb9cb-10
0.506
NIM-NMI-8bb27a2b-26
0.505
LON-WEI-adc59df6-41
0.500
LON-WEI-8f408cad-10
0.495
NIM-NMI-8bb27a2b-19
0.495
LON-WEI-b8d98729-33
0.490
NIM-NMI-8bb27a2b-18
0.490
RAL-MED-9a5eb9cb-8
0.490
LON-WEI-b8d98729-39
0.480
ERI-UCB-fbdd3ea1-1
0.480
ERI-UCB-fbdd3ea1-2
0.480
LON-WEI-b8d98729-35
0.480
NIM-NMI-8bb27a2b-24
0.479
NIM-NMI-8bb27a2b-16
0.474
ERI-UCB-fbdd3ea1-4
0.473
RAL-MED-9a5eb9cb-12
0.473
LON-WEI-adc59df6-13
0.472
NIM-NMI-8bb27a2b-22
0.469
LON-WEI-b8d98729-25
0.467
NIM-NMI-8bb27a2b-17
0.463
RAL-MED-9a5eb9cb-18
0.462
LON-WEI-adc59df6-12
0.461
NIM-NMI-8bb27a2b-23
0.460
BRU-LEF-8bac3ce8-1
0.455
RAL-MED-9a5eb9cb-16
0.452
LON-WEI-b8d98729-41
0.450
RAL-MED-9a5eb9cb-11
0.449
LON-WEI-adc59df6-15
0.447
LON-WEI-adc59df6-37
0.447
RAL-MED-9a5eb9cb-15
0.444
NIM-NMI-8bb27a2b-21
0.442
ALP-POS-02c6a514-56
0.441
LON-WEI-b8d98729-22
0.437
RAL-MED-9a5eb9cb-2
0.436
NIM-NMI-8bb27a2b-15
0.436
ALP-POS-88a7a97e-41
0.435
LON-WEI-babf2c61-9
0.434
RAL-MED-9a5eb9cb-7
0.433
NIM-NMI-8bb27a2b-20
0.431
WIL-UNI-a125ac6f-1
0.429
LON-WEI-adc59df6-46
0.427
LON-WEI-d1c9908a-3
0.425
NIM-NMI-8bb27a2b-28
0.423
NIM-NMI-8bb27a2b-8
0.422
LON-WEI-b8d98729-24
0.422
RAL-MED-9a5eb9cb-17
0.420
LON-WEI-adc59df6-45
0.417
LON-WEI-adc59df6-30
0.417
ALP-POS-02c6a514-25
0.414
ALP-POS-b0bc6a46-22
0.413
ALP-POS-02c6a514-37
0.413
ERI-UCB-fbdd3ea1-16
0.412
LON-WEI-d1c9908a-2
0.410
LON-WEI-adc59df6-24
0.407
ALP-POS-ced8ea4d-19
0.407
LON-WEI-adc59df6-26
0.406
ALP-POS-e980f4ea-19
0.405
LON-WEI-adc59df6-3
0.404
NIM-NMI-8bb27a2b-27
0.404
LON-WEI-adc59df6-18
0.400
LON-WEI-adc59df6-31
0.400
LON-WEI-d1c9908a-11
0.400
ALP-POS-02c6a514-40
0.400
BRU-THA-92256091-19
0.398
LON-WEI-adc59df6-27
0.398
LON-WEI-adc59df6-5
0.396
ALP-POS-88a7a97e-31
0.396
LON-WEI-adc59df6-91
0.396
ALP-POS-88a7a97e-14
0.396
LON-WEI-b8d98729-11
0.393
LON-WEI-d1c9908a-10
0.393
LON-WEI-d1c9908a-12
0.393
ALP-POS-88a7a97e-3
0.393
LON-WEI-adc59df6-21
0.392
LON-WEI-adc59df6-43
0.391
LON-WEI-adc59df6-4
0.391
ALP-POS-02c6a514-26
0.391
PET-UNK-7d68125a-4
0.391
ALP-POS-88a7a97e-33
0.390
ALP-UNI-c3ef0aba-3
0.389
LON-WEI-b8d98729-21
0.389
ALP-POS-88a7a97e-5
0.389
ALP-POS-88a7a97e-1
0.386