Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(OCCC(F)(F)F)c1)Nc1cncc2ccccc12 |
MW: | 408.09 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 51.22 |
cLogP: | 5.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
DAR-DIA-0587064e-4
0.778
DAR-DIA-0587064e-2
0.778
NAU-LAT-0543f7f2-9
0.733
DAR-DIA-0587064e-6
0.724
DAR-DIA-0587064e-5
0.718
MAT-POS-3b92565d-2
0.713
RAL-THA-2d450e86-18
0.713
ALP-POS-3b848b35-1
0.713
PET-UNK-bb7ffe78-2
0.711
DAR-DIA-0587064e-3
0.698
PET-UNK-8c422e11-4
0.694
DAR-DIA-0587064e-7
0.690
MIC-UNK-16ccb665-1
0.679
PET-UNK-8c422e11-3
0.679
DAR-DIA-0587064e-8
0.670
RAL-THA-1d44ff04-2
0.652
RAL-THA-1d44ff04-1
0.652
MAT-POS-fce787c2-2
0.641
MAT-POS-9ff17035-3
0.629
RAL-THA-2d450e86-14
0.614
MAT-POS-9ff17035-1
0.611
PET-UNK-8c422e11-1
0.609
PET-UNK-cf04cb02-1
0.609
MIC-UNK-16ccb665-3
0.605
ALP-POS-3b848b35-2
0.596
EDJ-MED-7320d5d2-1
0.596
MAT-POS-3b92565d-3
0.596
PET-UNK-8c422e11-2
0.596
MIC-UNK-08fa0751-2
0.596
RAL-THA-2d450e86-15
0.595
MIC-UNK-644c43c7-3
0.593
RAL-THA-1d44ff04-4
0.593
MAT-POS-9ff17035-2
0.589
PET-UNK-bb7ffe78-1
0.588
MIC-UNK-644c43c7-4
0.582
ROB-UNI-611831f5-1
0.582
RAL-THA-1d44ff04-6
0.578
RAL-THA-1d44ff04-12
0.577
MIC-UNK-644c43c7-1
0.574
RAL-THA-1d44ff04-3
0.573
LON-WEI-9739a092-2
0.571
MIC-UNK-644c43c7-2
0.568
RAL-THA-2d450e86-17
0.568
MAT-POS-cc05818f-1
0.568
PET-UNK-bb7ffe78-3
0.568
MIC-UNK-16ccb665-2
0.567
RAL-THA-1d44ff04-13
0.562
RAL-THA-1d44ff04-10
0.562
RAL-THA-2d450e86-30
0.561
MAT-POS-281d2ee9-1
0.560
VLA-UNK-b9c208fe-2
0.560
RAL-THA-1d44ff04-5
0.556
PET-UNK-1e7f2e90-1
0.549
RAL-THA-1d44ff04-7
0.548
ADA-UCB-6c2cb422-1
0.548
PET-UNK-b87f07d0-2
0.547
PET-UNK-c5865d42-2
0.546
RAL-THA-1d44ff04-9
0.543
RAL-THA-1d44ff04-11
0.543
RAL-THA-1d44ff04-8
0.543
MAT-POS-281d2ee9-2
0.543
RAL-THA-2d450e86-16
0.542
PET-UNK-b87f07d0-3
0.541
ALP-POS-fab80cf2-1
0.535
VLA-UNK-9a7dc93f-1
0.534
PET-UNK-c5865d42-1
0.532
PET-UNK-b87f07d0-1
0.531
RAL-THA-2d450e86-2
0.530
RAL-THA-2d450e86-11
0.523
RAL-THA-2d450e86-6
0.523
RAL-THA-2d450e86-9
0.523
MAT-POS-281d2ee9-3
0.521
EDJ-MED-50011917-1
0.521
LON-WEI-9739a092-8
0.520
LON-WEI-9739a092-10
0.519
RAL-THA-2d450e86-4
0.518
PET-UNK-372a2f82-1
0.515
MAT-POS-23a8a11a-1
0.512
RAL-THA-2d450e86-32
0.512
RAL-THA-2d450e86-33
0.512
RAL-THA-2d450e86-35
0.506
RAL-THA-2d450e86-13
0.506
RAL-THA-2d450e86-31
0.506
MIC-UNK-df9dcda8-4
0.505
LON-WEI-9739a092-7
0.505
LON-WEI-9739a092-1
0.505
RAL-THA-2d450e86-1
0.500
LON-WEI-9739a092-4
0.500
LON-WEI-9739a092-3
0.500
MAT-POS-bbbbc21a-1
0.500
RAL-THA-2d450e86-29
0.500
ALP-POS-f13221e1-2
0.500
MAT-POS-3b92565d-1
0.500
VLA-UNK-b9c208fe-1
0.500
LON-WEI-9739a092-9
0.495
VLA-UNK-9a7dc93f-2
0.495
RAL-THA-2d450e86-25
0.494
PET-UNK-dd44aeb6-1
0.494
NAU-LAT-2fed8305-9
0.494
RAL-THA-2d450e86-10
0.494