Molecular Properties | |
SMILES: | CCC(F)(F)c1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1 |
MW: | 374.1 |
Fraction sp3: | 0.2 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 41.99 |
cLogP: | 5.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-08fa0751-2
0.838
PET-UNK-8c422e11-1
0.787
MAT-POS-fce787c2-2
0.694
PET-UNK-bb7ffe78-1
0.675
PET-UNK-c5865d42-2
0.674
RAL-THA-2d450e86-14
0.662
RAL-THA-2d450e86-15
0.662
ALP-POS-fab80cf2-1
0.659
PET-UNK-bb7ffe78-3
0.650
MIC-UNK-16ccb665-2
0.646
PET-UNK-8c422e11-4
0.643
PET-UNK-bb7ffe78-2
0.639
RAL-THA-2d450e86-18
0.637
MAT-POS-3b92565d-2
0.637
ALP-POS-3b848b35-1
0.637
MIC-UNK-16ccb665-3
0.630
MIC-UNK-644c43c7-4
0.624
RAL-THA-1d44ff04-11
0.619
MAT-POS-281d2ee9-1
0.619
RAL-THA-1d44ff04-4
0.617
MIC-UNK-644c43c7-3
0.616
RAL-THA-1d44ff04-5
0.614
RAL-THA-1d44ff04-3
0.614
MIC-UNK-644c43c7-1
0.614
MAT-POS-cc05818f-1
0.610
RAL-THA-2d450e86-17
0.610
MIC-UNK-16ccb665-1
0.607
PET-UNK-8c422e11-3
0.607
PET-UNK-1e7f2e90-1
0.607
RAL-THA-2d450e86-30
0.605
DAR-DIA-0587064e-2
0.605
VLA-UNK-b9c208fe-2
0.603
RAL-THA-1d44ff04-10
0.602
RAL-THA-1d44ff04-13
0.602
RAL-THA-1d44ff04-9
0.600
RAL-THA-1d44ff04-6
0.600
DAR-DIA-0587064e-1
0.596
ADA-UCB-6c2cb422-1
0.590
MIC-UNK-644c43c7-2
0.589
DAR-DIA-0587064e-4
0.586
RAL-THA-2d450e86-16
0.584
RAL-THA-2d450e86-9
0.580
RAL-THA-2d450e86-31
0.580
PET-UNK-b87f07d0-3
0.576
LON-WEI-9739a092-2
0.574
VLA-UNK-9a7dc93f-1
0.573
RAL-THA-2d450e86-2
0.571
LON-WEI-9739a092-8
0.570
RAL-THA-2d450e86-32
0.570
RAL-THA-1d44ff04-7
0.568
PET-UNK-c5865d42-1
0.568
PET-UNK-b87f07d0-1
0.567
PET-UNK-b87f07d0-2
0.567
DAR-DIA-0587064e-7
0.567
LON-WEI-9739a092-4
0.564
RAL-THA-2d450e86-13
0.562
RAL-THA-1d44ff04-8
0.562
MAT-POS-281d2ee9-2
0.562
MAT-POS-9ff17035-3
0.562
RAL-THA-2d450e86-6
0.561
PET-UNK-cf04cb02-1
0.560
LON-WEI-9739a092-9
0.559
EDJ-MED-50011917-1
0.556
DAR-DIA-0587064e-5
0.556
MAT-POS-281d2ee9-3
0.556
DAR-DIA-0587064e-3
0.556
NAU-LAT-0543f7f2-9
0.554
MAT-POS-23a8a11a-1
0.550
PET-UNK-372a2f82-1
0.549
ALP-POS-3b848b35-2
0.548
MAT-POS-3b92565d-3
0.548
EDJ-MED-7320d5d2-1
0.548
MAT-POS-9ff17035-1
0.547
RAL-THA-2d450e86-35
0.544
RAL-THA-2d450e86-8
0.542
RAL-THA-2d450e86-1
0.539
RAL-THA-2d450e86-3
0.538
LON-WEI-9739a092-7
0.538
DAR-DIA-0587064e-8
0.537
RAL-THA-2d450e86-29
0.535
MAT-POS-bbbbc21a-1
0.535
MAT-POS-3b92565d-1
0.535
VLA-UNK-b9c208fe-1
0.534
DAR-DIA-0587064e-6
0.532
RAL-THA-2d450e86-7
0.532
RAL-THA-2d450e86-36
0.532
NAU-LAT-2fed8305-9
0.531
RAL-THA-2d450e86-33
0.531
RAL-THA-2d450e86-10
0.531
PET-UNK-dd44aeb6-2
0.530
RAL-THA-2d450e86-27
0.530
RAL-THA-2d450e86-24
0.530
PET-UNK-dd44aeb6-1
0.530
RAL-THA-2d450e86-25
0.530
MAT-POS-9ff17035-2
0.526
PET-UNK-c9c1e0d8-1
0.524
RAL-THA-1d44ff04-2
0.521
RAL-THA-1d44ff04-1
0.521
LON-WEI-9739a092-1
0.520
RAL-THA-2d450e86-4
0.519