Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(OCc2ccccc2Cl)c1)Nc1cncc2ccccc12 |
MW: | 436.07 |
Fraction sp3: | 0.08 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 51.22 |
cLogP: | 6.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0587064e-8
0.776
DAR-DIA-0587064e-5
0.747
DAR-DIA-0587064e-4
0.744
DAR-DIA-0587064e-3
0.726
DAR-DIA-0587064e-2
0.723
RAL-THA-2d450e86-18
0.722
MAT-POS-3b92565d-2
0.722
ALP-POS-3b848b35-1
0.722
RAL-THA-1d44ff04-1
0.716
RAL-THA-1d44ff04-2
0.716
DAR-DIA-0587064e-1
0.690
MIC-UNK-16ccb665-1
0.687
PET-UNK-8c422e11-3
0.687
NAU-LAT-0543f7f2-9
0.682
DAR-DIA-0587064e-6
0.674
PET-UNK-bb7ffe78-2
0.659
MAT-POS-fce787c2-2
0.649
PET-UNK-8c422e11-4
0.644
MAT-POS-9ff17035-3
0.636
PET-UNK-cf04cb02-1
0.615
RAL-THA-2d450e86-14
0.602
RAL-THA-2d450e86-15
0.602
RAL-THA-1d44ff04-6
0.602
ALP-POS-3b848b35-2
0.602
MAT-POS-3b92565d-3
0.602
EDJ-MED-7320d5d2-1
0.602
MAT-POS-9ff17035-1
0.600
RAL-THA-1d44ff04-12
0.600
RAL-THA-1d44ff04-3
0.598
MAT-POS-9ff17035-2
0.596
PET-UNK-bb7ffe78-1
0.595
RAL-THA-2d450e86-36
0.595
MIC-UNK-16ccb665-3
0.593
PET-UNK-b87f07d0-2
0.587
RAL-THA-1d44ff04-10
0.586
RAL-THA-1d44ff04-4
0.581
RAL-THA-2d450e86-17
0.575
PET-UNK-bb7ffe78-3
0.575
MAT-POS-cc05818f-1
0.575
MIC-UNK-16ccb665-2
0.573
ROB-UNI-611831f5-1
0.571
MIC-UNK-644c43c7-4
0.571
RAL-THA-1d44ff04-13
0.568
RAL-THA-2d450e86-30
0.568
RAL-THA-1d44ff04-9
0.567
RAL-THA-1d44ff04-11
0.567
MAT-POS-281d2ee9-1
0.567
PET-UNK-8c422e11-2
0.567
VLA-UNK-b9c208fe-2
0.566
MAT-POS-281d2ee9-2
0.565
RAL-THA-1d44ff04-8
0.565
PET-UNK-8c422e11-1
0.562
RAL-THA-1d44ff04-5
0.562
PET-UNK-1e7f2e90-1
0.556
RAL-THA-1d44ff04-7
0.554
ADA-UCB-6c2cb422-1
0.554
MIC-UNK-08fa0751-2
0.549
MIC-UNK-644c43c7-3
0.548
VLA-UNK-9a7dc93f-1
0.540
MAT-POS-fce787c2-1
0.539
PET-UNK-c5865d42-1
0.538
PET-UNK-b87f07d0-1
0.537
RAL-THA-2d450e86-2
0.537
MAT-POS-23a8a11a-1
0.536
RAL-THA-2d450e86-22
0.534
RAL-THA-2d450e86-16
0.530
DAR-DIA-0587064e-9
0.530
MAT-POS-afd4d4fd-3
0.529
RAL-THA-2d450e86-6
0.529
RAL-THA-2d450e86-9
0.529
RAL-THA-2d450e86-11
0.529
EDJ-MED-50011917-1
0.526
MAT-POS-281d2ee9-3
0.526
MIC-UNK-644c43c7-2
0.526
DAR-DIA-0587064e-23
0.524
RAL-THA-2d450e86-4
0.524
PET-UNK-372a2f82-1
0.521
PET-UNK-c5865d42-2
0.520
LON-WEI-9739a092-3
0.520
DAR-DIA-0587064e-22
0.519
RAL-THA-2d450e86-33
0.518
PET-UNK-dd44aeb6-2
0.517
RAL-THA-2d450e86-24
0.517
RAL-THA-2d450e86-21
0.517
MIC-UNK-644c43c7-1
0.515
RAL-THA-2d450e86-8
0.511
LON-WEI-9739a092-7
0.510
ALP-POS-fab80cf2-1
0.510
LON-WEI-9739a092-8
0.510
LON-WEI-9739a092-1
0.510
LON-WEI-9739a092-10
0.510
RAL-THA-2d450e86-1
0.506
ALP-POS-f13221e1-2
0.506
MAT-POS-3b92565d-1
0.505
RAL-THA-2d450e86-29
0.505
MAT-POS-bbbbc21a-1
0.505
VLA-UNK-b9c208fe-1
0.505
MAT-POS-afd4d4fd-1
0.500
RAL-THA-2d450e86-19
0.500
RAL-THA-2d450e86-20
0.500