Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(OCc2ccccc2)c1)Nc1cncc2ccccc12 |
MW: | 402.11 |
Fraction sp3: | 0.08 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 51.22 |
cLogP: | 5.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0587064e-6
0.762
DAR-DIA-0587064e-7
0.747
DAR-DIA-0587064e-2
0.732
DAR-DIA-0587064e-4
0.732
MAT-POS-3b92565d-2
0.731
RAL-THA-2d450e86-18
0.731
ALP-POS-3b848b35-1
0.731
DAR-DIA-0587064e-1
0.718
DAR-DIA-0587064e-3
0.714
DAR-DIA-0587064e-8
0.705
RAL-THA-1d44ff04-1
0.705
RAL-THA-1d44ff04-2
0.705
NAU-LAT-0543f7f2-9
0.690
PET-UNK-8c422e11-3
0.675
MIC-UNK-16ccb665-1
0.675
PET-UNK-8c422e11-4
0.671
PET-UNK-bb7ffe78-2
0.667
MAT-POS-fce787c2-2
0.658
MAT-POS-9ff17035-3
0.644
PET-UNK-cf04cb02-1
0.622
RAL-THA-2d450e86-15
0.610
RAL-THA-2d450e86-14
0.610
EDJ-MED-7320d5d2-1
0.609
MAT-POS-3b92565d-3
0.609
ALP-POS-3b848b35-2
0.609
MAT-POS-9ff17035-1
0.606
PET-UNK-bb7ffe78-1
0.602
MAT-POS-9ff17035-2
0.602
MAT-POS-cc05818f-1
0.600
ADA-UCB-6c2cb422-1
0.600
RAL-THA-2d450e86-17
0.600
RAL-THA-1d44ff04-10
0.593
RAL-THA-2d450e86-1
0.592
RAL-THA-1d44ff04-6
0.591
RAL-THA-1d44ff04-12
0.589
RAL-THA-1d44ff04-4
0.588
RAL-THA-1d44ff04-3
0.586
PET-UNK-bb7ffe78-3
0.581
MIC-UNK-16ccb665-3
0.581
PET-UNK-1e7f2e90-1
0.580
ROB-UNI-611831f5-1
0.577
RAL-THA-2d450e86-30
0.575
RAL-THA-1d44ff04-13
0.575
RAL-THA-1d44ff04-11
0.573
RAL-THA-1d44ff04-5
0.568
PET-UNK-8c422e11-1
0.568
MIC-UNK-16ccb665-2
0.562
RAL-THA-1d44ff04-7
0.560
PET-UNK-b87f07d0-2
0.559
MAT-POS-281d2ee9-1
0.556
RAL-THA-1d44ff04-9
0.556
PET-UNK-8c422e11-2
0.556
MIC-UNK-08fa0751-2
0.556
MAT-POS-281d2ee9-2
0.554
RAL-THA-1d44ff04-8
0.554
VLA-UNK-b9c208fe-2
0.554
RAL-THA-2d450e86-11
0.553
ALP-POS-f13221e1-2
0.547
PET-UNK-c5865d42-1
0.543
MIC-UNK-644c43c7-4
0.543
RAL-THA-2d450e86-2
0.543
PET-UNK-b87f07d0-1
0.543
MIC-UNK-644c43c7-3
0.538
RAL-THA-2d450e86-16
0.537
MAT-POS-281d2ee9-3
0.532
EDJ-MED-50011917-1
0.532
RAL-THA-2d450e86-4
0.530
VLA-UNK-9a7dc93f-1
0.529
PET-UNK-372a2f82-1
0.526
MAT-POS-23a8a11a-1
0.524
RAL-THA-2d450e86-33
0.524
NAU-LAT-2fed8305-9
0.524
ALP-POS-f13221e1-3
0.523
MIC-UNK-644c43c7-1
0.521
PET-UNK-c9c1e0d8-1
0.518
RAL-THA-2d450e86-6
0.517
RAL-THA-2d450e86-9
0.517
LON-WEI-9739a092-7
0.515
MIC-UNK-644c43c7-2
0.515
LON-WEI-9739a092-1
0.515
LON-WEI-9739a092-10
0.515
NAU-LAT-2fed8305-5
0.512
MAT-POS-bbbbc21a-1
0.511
MAT-POS-3b92565d-1
0.511
RAL-THA-2d450e86-29
0.511
PET-UNK-c5865d42-2
0.510
LON-WEI-9739a092-3
0.510
RAL-THA-2d450e86-10
0.506
LON-WEI-9739a092-9
0.505
PET-UNK-b87f07d0-3
0.505
LON-WEI-9739a092-2
0.505
PET-UNK-3c72d439-1
0.500
RAL-THA-2d450e86-8
0.500
RAL-THA-2d450e86-39
0.500
ALP-POS-fab80cf2-1
0.500
LON-WEI-9739a092-8
0.500
RAL-THA-2d450e86-13
0.500
RAL-THA-2d450e86-35
0.500
DAR-DIA-0587064e-18
0.495
LON-WEI-9739a092-4
0.495