Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccccc1Oc1cc(F)cc(F)c1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 465.5 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.53 |
cLogP: | 5.32710000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-15
0.558
ERI-UCB-fbdd3ea1-17
0.531
ERI-UCB-fbdd3ea1-16
0.525
ERI-UCB-fbdd3ea1-13
0.495
LON-WEI-b8d98729-23
0.490
ERI-UCB-fbdd3ea1-11
0.490
LON-WEI-adc59df6-80
0.490
ERI-UCB-fbdd3ea1-4
0.485
LON-WEI-b8d98729-6
0.485
LON-WEI-b8d98729-7
0.485
RAL-MED-9a5eb9cb-12
0.485
LON-WEI-adc59df6-70
0.485
LON-WEI-8f408cad-8
0.484
LON-WEI-adc59df6-101
0.480
LON-WEI-8f408cad-9
0.475
JAN-GHE-d851b096-8
0.475
LON-WEI-adc59df6-81
0.474
LON-WEI-adc59df6-66
0.472
ERI-UCB-fbdd3ea1-12
0.471
LON-WEI-adc59df6-73
0.470
LON-WEI-b8d98729-10
0.470
ERI-UCB-fbdd3ea1-31
0.467
LON-WEI-adc59df6-100
0.467
LON-WEI-adc59df6-84
0.466
LON-WEI-adc59df6-91
0.465
ERI-UCB-fbdd3ea1-30
0.462
LON-WEI-adc59df6-95
0.461
LON-WEI-adc59df6-74
0.461
LON-WEI-adc59df6-79
0.461
LON-WEI-b8d98729-32
0.460
LON-WEI-d1c9908a-1
0.460
LON-WEI-adc59df6-87
0.457
LON-WEI-adc59df6-103
0.456
LON-WEI-adc59df6-82
0.455
LON-WEI-adc59df6-104
0.453
LON-WEI-adc59df6-65
0.453
LON-WEI-adc59df6-83
0.449
LON-WEI-adc59df6-85
0.448
ERI-UCB-fbdd3ea1-14
0.445
LON-WEI-adc59df6-68
0.443
ERI-UCB-fbdd3ea1-22
0.441
LON-WEI-b8d98729-31
0.435
LON-WEI-adc59df6-78
0.434
LON-WEI-adc59df6-88
0.432
LON-WEI-adc59df6-41
0.425
ERI-UCB-fbdd3ea1-21
0.423
NIR-WEI-f9286bb6-2
0.422
LON-WEI-adc59df6-102
0.416
LON-WEI-adc59df6-62
0.415
LON-WEI-adc59df6-71
0.415
LON-WEI-adc59df6-63
0.415
LON-WEI-adc59df6-97
0.413
ERI-UCB-fbdd3ea1-23
0.413
ERI-UCB-fbdd3ea1-19
0.412
LON-WEI-adc59df6-86
0.406
ERI-UCB-fbdd3ea1-18
0.404
LON-WEI-adc59df6-18
0.400
LON-WEI-adc59df6-69
0.400
LON-WEI-adc59df6-75
0.400
LON-WEI-adc59df6-89
0.398
ERI-UCB-fbdd3ea1-20
0.398
LON-WEI-adc59df6-72
0.398
ERI-UCB-fbdd3ea1-33
0.398
LON-WEI-adc59df6-64
0.394
NIM-NMI-8bb27a2b-3
0.393
LON-WEI-adc59df6-76
0.391
LON-WEI-adc59df6-93
0.390
LON-WEI-adc59df6-96
0.390
LON-WEI-adc59df6-3
0.390
LON-WEI-adc59df6-16
0.389
ERI-UCB-fbdd3ea1-32
0.389
LON-WEI-adc59df6-94
0.389
LON-WEI-adc59df6-46
0.387
LON-WEI-adc59df6-98
0.387
ERI-UCB-fbdd3ea1-6
0.387
ALP-POS-c59291d4-6
0.387
LON-WEI-adc59df6-99
0.387
LON-WEI-adc59df6-31
0.387
ALP-POS-02c6a514-14
0.387
ALP-POS-b0bc6a46-8
0.387
LON-WEI-adc59df6-67
0.385
NIM-NMI-8bb27a2b-8
0.385
LON-WEI-adc59df6-23
0.384
RAL-MED-9a5eb9cb-10
0.382
LON-WEI-d1c9908a-7
0.382
NIM-NMI-8bb27a2b-11
0.382
ERI-UCB-fbdd3ea1-7
0.382
LON-WEI-adc59df6-44
0.381
LON-WEI-adc59df6-12
0.381
LON-WEI-adc59df6-33
0.381
LON-WEI-adc59df6-35
0.380
LON-WEI-adc59df6-21
0.379
LON-WEI-adc59df6-92
0.378
LON-WEI-babf2c61-10
0.376
RAL-MED-9a5eb9cb-14
0.375
LON-WEI-adc59df6-30
0.375
RIT-AID-af4ac3d4-1
0.375
LON-WEI-b8d98729-27
0.375
LON-POS-586a7c45-1
0.374
PAU-WEI-5b8d5051-1
0.374