Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(OCc2ncc[nH]2)c1)Nc1cncc2ccccc12 |
MW: | 392.1 |
Fraction sp3: | 0.1 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 79.9 |
cLogP: | 4.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-3b848b35-2
RAL-THA-1d44ff04-2
0.733
DAR-DIA-0587064e-7
0.716
DAR-DIA-0587064e-5
0.705
DAR-DIA-0587064e-4
0.682
DAR-DIA-0587064e-2
0.682
ALP-POS-3b848b35-1
0.679
MAT-POS-3b92565d-2
0.679
RAL-THA-2d450e86-18
0.679
DAR-DIA-0587064e-8
0.677
DAR-DIA-0587064e-3
0.667
DAR-DIA-0587064e-6
0.656
DAR-DIA-0587064e-1
0.652
NAU-LAT-0543f7f2-9
0.645
MAT-POS-9ff17035-3
0.637
PET-UNK-8c422e11-3
0.629
MIC-UNK-16ccb665-1
0.629
RAL-THA-1d44ff04-7
0.626
PET-UNK-bb7ffe78-2
0.622
RAL-THA-6b94ceba-1
0.620
MAT-POS-fce787c2-2
0.610
PET-UNK-8c422e11-4
0.609
EDJ-MED-7320d5d2-1
0.604
ALP-POS-3b848b35-2
0.604
MAT-POS-3b92565d-3
0.604
RAL-THA-1d44ff04-12
0.602
PET-UNK-cf04cb02-1
0.600
ROB-UNI-611831f5-1
0.590
MAT-POS-9ff17035-1
0.586
MAT-POS-9ff17035-2
0.582
RAL-THA-2d450e86-15
0.568
RAL-THA-2d450e86-14
0.568
PET-UNK-bb7ffe78-1
0.562
RAL-THA-2d450e86-17
0.560
MAT-POS-cc05818f-1
0.560
RAL-THA-1d44ff04-10
0.554
RAL-THA-1d44ff04-6
0.553
RAL-THA-1d44ff04-8
0.552
MAT-POS-281d2ee9-2
0.552
VLA-UNK-b9c208fe-2
0.552
RAL-THA-1d44ff04-4
0.549
RAL-THA-1d44ff04-3
0.548
PET-UNK-bb7ffe78-3
0.543
MIC-UNK-16ccb665-3
0.543
MIC-UNK-16ccb665-2
0.543
PET-UNK-1e7f2e90-1
0.543
RAL-THA-1d44ff04-13
0.538
RAL-THA-1d44ff04-11
0.537
RAL-THA-2d450e86-30
0.535
PET-UNK-8c422e11-1
0.532
RAL-THA-1d44ff04-5
0.532
PET-UNK-c5865d42-1
0.526
PET-UNK-b87f07d0-2
0.525
PET-UNK-372a2f82-1
0.525
ADA-UCB-6c2cb422-1
0.523
MAT-POS-281d2ee9-1
0.521
RAL-THA-1d44ff04-9
0.521
PET-UNK-8c422e11-2
0.521
MIC-UNK-08fa0751-2
0.521
MAT-POS-281d2ee9-3
0.515
EDJ-MED-50011917-1
0.515
ALP-POS-fab80cf2-1
0.515
VLA-UNK-9a7dc93f-1
0.511
MIC-UNK-644c43c7-4
0.510
PET-UNK-b87f07d0-1
0.510
PET-UNK-c5865d42-2
0.510
RAL-THA-2d450e86-2
0.506
MAT-POS-23a8a11a-1
0.506
MIC-UNK-644c43c7-3
0.505
RAL-THA-2d450e86-6
0.500
RAL-THA-2d450e86-11
0.500
RAL-THA-2d450e86-8
0.500
RAL-THA-2d450e86-16
0.500
RAL-THA-2d450e86-9
0.500
LON-WEI-9739a092-4
0.495
VLA-UNK-b9c208fe-1
0.495
RAL-THA-2d450e86-4
0.494
LON-WEI-9739a092-9
0.490
MIC-UNK-644c43c7-1
0.490
RAL-THA-2d450e86-33
0.489
LON-WEI-9739a092-10
0.486
LON-WEI-9739a092-1
0.486
LON-WEI-9739a092-8
0.486
MIC-UNK-644c43c7-2
0.485
LON-WEI-9739a092-7
0.485
PET-UNK-3c72d439-1
0.484
LON-WEI-9739a092-3
0.481
MAT-POS-bbbbc21a-1
0.479
MAT-POS-3b92565d-1
0.479
MAT-POS-fce787c2-1
0.479
RAL-THA-2d450e86-29
0.479
ALP-POS-f13221e1-2
0.479
RAL-THA-2d450e86-1
0.477
DAR-DIA-0587064e-9
0.477
LON-WEI-9739a092-2
0.477
PET-UNK-b87f07d0-3
0.476
NAU-LAT-30527ac5-1
0.475
VLA-UNK-9a7dc93f-2
0.474
RAL-THA-2d450e86-21
0.474
RAL-THA-2d450e86-22
0.474
PET-UNK-dd44aeb6-2
0.473