Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(OCc2ccc(F)cc2Cl)c1)Nc1cncc2ccccc12 |
MW: | 454.07 |
Fraction sp3: | 0.08 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 51.22 |
cLogP: | 6.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0587064e-7
0.776
DAR-DIA-0587064e-5
0.705
DAR-DIA-0587064e-4
0.701
DAR-DIA-0587064e-9
0.699
DAR-DIA-0587064e-2
0.682
MAT-POS-3b92565d-2
0.679
ALP-POS-3b848b35-1
0.679
RAL-THA-2d450e86-18
0.679
RAL-THA-1d44ff04-2
0.677
RAL-THA-1d44ff04-1
0.677
DAR-DIA-0587064e-1
0.670
DAR-DIA-0587064e-3
0.667
PET-UNK-bb7ffe78-2
0.659
MIC-UNK-16ccb665-1
0.648
PET-UNK-8c422e11-3
0.648
NAU-LAT-0543f7f2-9
0.645
PET-UNK-8c422e11-4
0.644
DAR-DIA-0587064e-6
0.638
RAL-THA-2d450e86-14
0.624
MAT-POS-fce787c2-2
0.610
MAT-POS-9ff17035-3
0.602
MAT-POS-9ff17035-1
0.586
PET-UNK-cf04cb02-1
0.583
EDJ-MED-7320d5d2-1
0.571
ALP-POS-3b848b35-2
0.571
MAT-POS-3b92565d-3
0.571
RAL-THA-1d44ff04-12
0.570
RAL-THA-1d44ff04-6
0.570
VLA-UNK-b9c208fe-2
0.570
RAL-THA-2d450e86-15
0.568
MAT-POS-9ff17035-2
0.566
RAL-THA-1d44ff04-3
0.565
PET-UNK-bb7ffe78-1
0.562
MIC-UNK-16ccb665-3
0.560
RAL-THA-1d44ff04-10
0.554
RAL-THA-2d450e86-16
0.553
RAL-THA-2d450e86-30
0.553
RAL-THA-1d44ff04-4
0.549
PET-UNK-8c422e11-1
0.548
VLA-UNK-9a7dc93f-1
0.544
ROB-UNI-611831f5-1
0.544
RAL-THA-2d450e86-17
0.543
MAT-POS-cc05818f-1
0.543
PET-UNK-bb7ffe78-3
0.543
MIC-UNK-16ccb665-2
0.543
MIC-UNK-644c43c7-4
0.542
RAL-THA-1d44ff04-7
0.542
RAL-THA-1d44ff04-13
0.538
RAL-THA-1d44ff04-9
0.537
RAL-THA-1d44ff04-11
0.537
MIC-UNK-08fa0751-2
0.537
PET-UNK-8c422e11-2
0.537
DAR-DIA-0587064e-25
0.536
RAL-THA-1d44ff04-8
0.536
MAT-POS-281d2ee9-2
0.536
MIC-UNK-644c43c7-3
0.536
RAL-THA-2d450e86-6
0.533
RAL-THA-2d450e86-9
0.533
RAL-THA-1d44ff04-5
0.532
DAR-DIA-0587064e-24
0.532
PET-UNK-1e7f2e90-1
0.526
PET-UNK-b87f07d0-2
0.525
LON-WEI-9739a092-4
0.524
RAL-THA-2d450e86-7
0.523
ADA-UCB-6c2cb422-1
0.523
RAL-THA-2d450e86-10
0.523
MAT-POS-281d2ee9-1
0.521
RAL-THA-2d450e86-35
0.517
VLA-UNK-b9c208fe-1
0.510
PET-UNK-c5865d42-1
0.510
PET-UNK-b87f07d0-1
0.510
PET-UNK-c5865d42-2
0.510
RAL-THA-2d450e86-2
0.506
MAT-POS-23a8a11a-1
0.506
MIC-UNK-644c43c7-1
0.505
DAR-DIA-0587064e-26
0.504
EDJ-MED-50011917-1
0.500
MIC-UNK-644c43c7-2
0.500
RAL-THA-2d450e86-11
0.500
MAT-POS-281d2ee9-3
0.500
DAR-DIA-0587064e-27
0.496
PET-UNK-372a2f82-1
0.495
MAT-POS-bbbbc21a-1
0.495
MAT-POS-3b92565d-1
0.495
RAL-THA-2d450e86-29
0.495
RAL-THA-2d450e86-26
0.495
RAL-THA-2d450e86-4
0.494
LON-WEI-9739a092-2
0.491
PET-UNK-b87f07d0-3
0.490
VLA-UNK-9a7dc93f-2
0.490
RAL-THA-2d450e86-25
0.489
PET-UNK-dd44aeb6-1
0.489
NAU-LAT-2fed8305-9
0.489
RAL-THA-2d450e86-33
0.489
LON-WEI-9739a092-10
0.486
LON-WEI-9739a092-1
0.486
ALP-POS-fab80cf2-1
0.486
LON-WEI-9739a092-7
0.485
RAL-THA-2d450e86-8
0.484
MAT-POS-afd4d4fd-3
0.484