Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(C(F)(F)CO)c1)Nc1cncc2ccccc12 |
MW: | 376.08 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 62.22 |
cLogP: | 4.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-8c422e11-2
0.838
PET-UNK-8c422e11-1
0.763
MAT-POS-fce787c2-2
0.694
PET-UNK-c5865d42-2
0.674
RAL-THA-2d450e86-14
0.662
ALP-POS-fab80cf2-1
0.659
MIC-UNK-16ccb665-3
0.650
RAL-THA-2d450e86-15
0.641
PET-UNK-bb7ffe78-2
0.639
PET-UNK-bb7ffe78-1
0.633
MIC-UNK-16ccb665-2
0.627
MIC-UNK-644c43c7-4
0.624
PET-UNK-8c422e11-4
0.624
RAL-THA-1d44ff04-4
0.617
RAL-THA-2d450e86-18
0.617
MAT-POS-3b92565d-2
0.617
ALP-POS-3b848b35-1
0.617
MIC-UNK-644c43c7-3
0.616
MIC-UNK-644c43c7-1
0.614
PET-UNK-bb7ffe78-3
0.610
RAL-THA-2d450e86-17
0.610
MAT-POS-cc05818f-1
0.610
PET-UNK-8c422e11-3
0.607
MIC-UNK-16ccb665-1
0.607
RAL-THA-2d450e86-30
0.605
VLA-UNK-b9c208fe-2
0.603
RAL-THA-1d44ff04-10
0.602
RAL-THA-1d44ff04-13
0.602
MAT-POS-281d2ee9-1
0.600
DAR-DIA-0587064e-1
0.596
RAL-THA-1d44ff04-3
0.595
RAL-THA-1d44ff04-5
0.595
PET-UNK-b87f07d0-3
0.593
ADA-UCB-6c2cb422-1
0.590
MIC-UNK-644c43c7-2
0.589
PET-UNK-1e7f2e90-1
0.588
RAL-THA-2d450e86-16
0.584
RAL-THA-1d44ff04-11
0.581
RAL-THA-1d44ff04-6
0.581
RAL-THA-1d44ff04-9
0.581
RAL-THA-2d450e86-9
0.580
RAL-THA-2d450e86-31
0.580
LON-WEI-9739a092-2
0.574
VLA-UNK-9a7dc93f-1
0.573
RAL-THA-2d450e86-2
0.571
RAL-THA-2d450e86-32
0.570
DAR-DIA-0587064e-2
0.568
PET-UNK-c5865d42-1
0.568
RAL-THA-1d44ff04-7
0.568
DAR-DIA-0587064e-4
0.568
RAL-THA-2d450e86-35
0.564
MAT-POS-9ff17035-3
0.562
MAT-POS-281d2ee9-2
0.562
RAL-THA-1d44ff04-8
0.562
RAL-THA-2d450e86-6
0.561
EDJ-MED-50011917-1
0.556
MAT-POS-281d2ee9-3
0.556
DAR-DIA-0587064e-3
0.556
DAR-DIA-0587064e-5
0.556
MAT-POS-23a8a11a-1
0.550
RAL-THA-2d450e86-10
0.550
PET-UNK-b87f07d0-1
0.549
PET-UNK-b87f07d0-2
0.549
PET-UNK-372a2f82-1
0.549
DAR-DIA-0587064e-7
0.549
LON-WEI-9739a092-4
0.547
PET-UNK-cf04cb02-1
0.543
RAL-THA-2d450e86-13
0.543
RAL-THA-2d450e86-1
0.539
LON-WEI-9739a092-7
0.538
NAU-LAT-0543f7f2-9
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
ALP-POS-3b848b35-2
0.532
MAT-POS-3b92565d-3
0.532
EDJ-MED-7320d5d2-1
0.532
DAR-DIA-0587064e-6
0.532
RAL-THA-2d450e86-7
0.532
RAL-THA-2d450e86-36
0.532
MAT-POS-9ff17035-1
0.531
RAL-THA-2d450e86-33
0.531
NAU-LAT-2fed8305-9
0.531
PET-UNK-dd44aeb6-1
0.530
RAL-THA-2d450e86-25
0.530
MAT-POS-9ff17035-2
0.526
LON-WEI-9739a092-9
0.526
PET-UNK-c9c1e0d8-1
0.524
MAT-POS-afd4d4fd-2
0.524
RAL-THA-2d450e86-8
0.524
RAL-THA-1d44ff04-1
0.521
LON-WEI-9739a092-8
0.521
RAL-THA-1d44ff04-2
0.521
RAL-THA-2d450e86-3
0.519
NAU-LAT-2fed8305-5
0.518
RAL-THA-1d44ff04-12
0.515
RAL-THA-2d450e86-37
0.512
NAU-LAT-2fed8305-6
0.512