Molecular Properties | |
SMILES: | CC(F)(F)Oc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1 |
MW: | 376.08 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 51.22 |
cLogP: | 5.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-bb7ffe78-2
0.840
ALP-POS-3b848b35-1
0.750
MAT-POS-3b92565d-2
0.750
RAL-THA-2d450e86-18
0.750
PET-UNK-8c422e11-3
0.713
MIC-UNK-16ccb665-1
0.713
MAT-POS-fce787c2-2
0.699
DAR-DIA-0587064e-1
0.694
DAR-DIA-0587064e-4
0.687
DAR-DIA-0587064e-2
0.687
PET-UNK-8c422e11-1
0.679
DAR-DIA-0587064e-5
0.671
DAR-DIA-0587064e-3
0.671
RAL-THA-2d450e86-14
0.667
MAT-POS-9ff17035-3
0.659
PET-UNK-cf04cb02-1
0.655
NAU-LAT-0543f7f2-9
0.648
RAL-THA-2d450e86-15
0.646
DAR-DIA-0587064e-8
0.644
DAR-DIA-0587064e-7
0.644
PET-UNK-8c422e11-2
0.643
DAR-DIA-0587064e-6
0.640
PET-UNK-bb7ffe78-1
0.637
VLA-UNK-b9c208fe-2
0.628
MIC-UNK-08fa0751-2
0.624
EDJ-MED-7320d5d2-1
0.622
ALP-POS-3b848b35-2
0.622
MAT-POS-3b92565d-3
0.622
MIC-UNK-644c43c7-3
0.621
MAT-POS-9ff17035-1
0.620
MAT-POS-9ff17035-2
0.615
PET-UNK-bb7ffe78-3
0.614
MIC-UNK-16ccb665-3
0.614
MIC-UNK-644c43c7-4
0.609
RAL-THA-1d44ff04-1
0.609
RAL-THA-1d44ff04-2
0.609
ROB-UNI-611831f5-1
0.606
RAL-THA-1d44ff04-6
0.605
RAL-THA-1d44ff04-4
0.602
RAL-THA-1d44ff04-12
0.602
RAL-THA-1d44ff04-5
0.600
RAL-THA-1d44ff04-3
0.600
VLA-UNK-9a7dc93f-1
0.598
MAT-POS-cc05818f-1
0.595
RAL-THA-2d450e86-17
0.595
ADA-UCB-6c2cb422-1
0.595
MIC-UNK-16ccb665-2
0.593
RAL-THA-2d450e86-16
0.590
RAL-THA-2d450e86-30
0.590
RAL-THA-1d44ff04-10
0.588
RAL-THA-1d44ff04-13
0.588
PET-UNK-c5865d42-2
0.587
MAT-POS-281d2ee9-1
0.586
RAL-THA-1d44ff04-9
0.586
RAL-THA-1d44ff04-11
0.586
MIC-UNK-644c43c7-1
0.582
MIC-UNK-644c43c7-2
0.576
PET-UNK-1e7f2e90-1
0.575
PET-UNK-c5865d42-1
0.573
PET-UNK-b87f07d0-2
0.571
RAL-THA-1d44ff04-8
0.567
MAT-POS-281d2ee9-2
0.567
RAL-THA-2d450e86-11
0.566
RAL-THA-2d450e86-9
0.566
RAL-THA-2d450e86-6
0.566
PET-UNK-b87f07d0-3
0.564
ALP-POS-fab80cf2-1
0.558
RAL-THA-2d450e86-2
0.557
VLA-UNK-b9c208fe-1
0.557
RAL-THA-1d44ff04-7
0.556
RAL-THA-2d450e86-10
0.556
PET-UNK-b87f07d0-1
0.554
LON-WEI-9739a092-4
0.552
RAL-THA-2d450e86-35
0.550
RAL-THA-2d450e86-13
0.549
RAL-THA-2d450e86-8
0.548
RAL-THA-2d450e86-31
0.548
LON-WEI-9739a092-2
0.546
RAL-THA-2d450e86-1
0.545
MAT-POS-281d2ee9-3
0.543
EDJ-MED-50011917-1
0.543
RAL-THA-2d450e86-4
0.543
LON-WEI-9739a092-7
0.543
NAU-LAT-2fed8305-5
0.542
PET-UNK-372a2f82-1
0.538
RAL-THA-2d450e86-7
0.537
MAT-POS-23a8a11a-1
0.537
RAL-THA-2d450e86-32
0.537
PET-UNK-dd44aeb6-1
0.536
ALP-POS-f13221e1-3
0.536
RAL-THA-2d450e86-25
0.536
VLA-UNK-9a7dc93f-2
0.534
LON-WEI-9739a092-9
0.531
LON-WEI-9739a092-8
0.526
LON-WEI-9739a092-1
0.525
RAL-THA-2d450e86-3
0.525
DAR-DIA-0cde14eb-48
0.523
RAL-THA-2d450e86-29
0.523
MAT-POS-3b92565d-1
0.523
MAT-POS-bbbbc21a-1
0.523