Molecular Properties | |
SMILES: | CC(F)(F)c1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1 |
MW: | 360.08 |
Fraction sp3: | 0.16 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 5.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-8c422e11-2
0.787
MIC-UNK-08fa0751-2
0.763
MAT-POS-fce787c2-2
0.714
PET-UNK-c5865d42-2
0.690
RAL-THA-2d450e86-14
0.680
RAL-THA-2d450e86-15
0.680
PET-UNK-8c422e11-4
0.679
ALP-POS-fab80cf2-1
0.674
PET-UNK-bb7ffe78-1
0.671
MIC-UNK-644c43c7-4
0.659
PET-UNK-bb7ffe78-2
0.654
ALP-POS-3b848b35-1
0.654
MAT-POS-3b92565d-2
0.654
RAL-THA-2d450e86-18
0.654
PET-UNK-bb7ffe78-3
0.646
MIC-UNK-16ccb665-3
0.646
MIC-UNK-16ccb665-2
0.642
MAT-POS-281d2ee9-1
0.634
RAL-THA-1d44ff04-4
0.633
MIC-UNK-644c43c7-3
0.631
RAL-THA-1d44ff04-3
0.630
RAL-THA-1d44ff04-5
0.630
MIC-UNK-644c43c7-1
0.628
ADA-UCB-6c2cb422-1
0.627
MAT-POS-cc05818f-1
0.625
RAL-THA-2d450e86-17
0.625
MIC-UNK-16ccb665-1
0.622
PET-UNK-8c422e11-3
0.622
RAL-THA-2d450e86-30
0.622
MIC-UNK-644c43c7-2
0.621
VLA-UNK-b9c208fe-2
0.618
RAL-THA-1d44ff04-10
0.617
RAL-THA-1d44ff04-13
0.617
RAL-THA-1d44ff04-6
0.614
RAL-THA-1d44ff04-9
0.614
RAL-THA-1d44ff04-11
0.614
DAR-DIA-0587064e-1
0.609
PET-UNK-1e7f2e90-1
0.602
DAR-DIA-0587064e-4
0.600
RAL-THA-2d450e86-16
0.600
DAR-DIA-0587064e-2
0.600
RAL-THA-2d450e86-9
0.595
RAL-THA-2d450e86-31
0.595
PET-UNK-b87f07d0-3
0.589
VLA-UNK-9a7dc93f-1
0.588
LON-WEI-9739a092-2
0.587
RAL-THA-2d450e86-2
0.587
RAL-THA-2d450e86-32
0.584
RAL-THA-1d44ff04-7
0.581
PET-UNK-c5865d42-1
0.581
PET-UNK-b87f07d0-1
0.580
PET-UNK-b87f07d0-2
0.580
RAL-THA-2d450e86-6
0.575
MAT-POS-9ff17035-3
0.575
MAT-POS-281d2ee9-2
0.575
RAL-THA-1d44ff04-8
0.575
DAR-DIA-0587064e-5
0.568
MAT-POS-281d2ee9-3
0.568
EDJ-MED-50011917-1
0.568
DAR-DIA-0587064e-3
0.568
NAU-LAT-0543f7f2-9
0.567
LON-WEI-9739a092-7
0.567
MAT-POS-23a8a11a-1
0.564
PET-UNK-372a2f82-1
0.562
DAR-DIA-0587064e-7
0.562
LON-WEI-9739a092-4
0.559
RAL-THA-2d450e86-35
0.558
RAL-THA-2d450e86-13
0.557
PET-UNK-cf04cb02-1
0.556
RAL-THA-2d450e86-8
0.556
MAT-POS-9ff17035-2
0.554
LON-WEI-9739a092-9
0.554
RAL-THA-2d450e86-1
0.554
RAL-THA-2d450e86-3
0.553
LON-WEI-9739a092-8
0.548
DAR-DIA-0587064e-8
0.548
RAL-THA-2d450e86-29
0.548
MAT-POS-3b92565d-1
0.548
MAT-POS-bbbbc21a-1
0.548
VLA-UNK-b9c208fe-1
0.547
RAL-THA-2d450e86-7
0.545
NAU-LAT-2fed8305-9
0.544
RAL-THA-2d450e86-33
0.544
RAL-THA-2d450e86-10
0.544
EDJ-MED-7320d5d2-1
0.543
ALP-POS-3b848b35-2
0.543
MAT-POS-3b92565d-3
0.543
DAR-DIA-0587064e-6
0.543
PET-UNK-dd44aeb6-1
0.543
RAL-THA-2d450e86-27
0.543
ALP-POS-f13221e1-3
0.543
RAL-THA-2d450e86-25
0.543
MAT-POS-9ff17035-1
0.543
RAL-THA-1d44ff04-1
0.532
RAL-THA-1d44ff04-2
0.532
RAL-THA-2d450e86-4
0.532
PET-UNK-b87f07d0-4
0.531
LON-WEI-9739a092-1
0.531
NAU-LAT-2fed8305-5
0.531
RAL-THA-1d44ff04-12
0.526