Molecular Properties | |
SMILES: | CC(=O)NCCOc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1 |
MW: | 397.12 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 80.32 |
cLogP: | 3.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
DAR-DIA-0587064e-4
0.790
DAR-DIA-0587064e-2
0.790
DAR-DIA-0587064e-6
0.736
DAR-DIA-0587064e-1
0.733
RAL-THA-2d450e86-18
0.725
MAT-POS-3b92565d-2
0.725
ALP-POS-3b848b35-1
0.725
DAR-DIA-0587064e-3
0.690
DAR-DIA-0587064e-5
0.690
DAR-DIA-0587064e-7
0.682
MIC-UNK-16ccb665-1
0.651
PET-UNK-8c422e11-3
0.651
PET-UNK-8c422e11-4
0.648
DAR-DIA-0587064e-8
0.645
RAL-THA-1d44ff04-1
0.645
RAL-THA-1d44ff04-2
0.645
PET-UNK-bb7ffe78-2
0.644
RAL-THA-1d44ff04-3
0.640
MAT-POS-fce787c2-2
0.633
PET-UNK-b87f07d0-1
0.626
MAT-POS-9ff17035-3
0.622
RAL-THA-2d450e86-14
0.607
RAL-THA-2d450e86-15
0.607
RAL-THA-1d44ff04-6
0.607
NAU-LAT-0543f7f2-1
0.607
RAL-THA-1d44ff04-4
0.605
PET-UNK-cf04cb02-1
0.602
PET-UNK-bb7ffe78-1
0.600
ALP-POS-3b848b35-2
0.589
MAT-POS-3b92565d-3
0.589
EDJ-MED-7320d5d2-1
0.589
MAT-POS-281d2ee9-1
0.589
MAT-POS-9ff17035-1
0.588
MAT-POS-9ff17035-2
0.583
MIC-UNK-16ccb665-3
0.580
PET-UNK-bb7ffe78-3
0.580
PET-UNK-b87f07d0-2
0.574
RAL-THA-1d44ff04-11
0.571
RAL-THA-1d44ff04-12
0.571
RAL-THA-1d44ff04-5
0.567
PET-UNK-8c422e11-1
0.567
RAL-THA-2d450e86-17
0.562
MAT-POS-cc05818f-1
0.562
ROB-UNI-611831f5-1
0.560
ADA-UCB-6c2cb422-1
0.560
RAL-THA-1d44ff04-7
0.559
RAL-THA-1d44ff04-10
0.556
RAL-THA-1d44ff04-13
0.556
RAL-THA-1d44ff04-9
0.554
PET-UNK-8c422e11-2
0.554
RAL-THA-2d450e86-30
0.554
MAT-POS-281d2ee9-2
0.553
RAL-THA-1d44ff04-8
0.553
RAL-THA-2d450e86-4
0.548
PET-UNK-1e7f2e90-1
0.543
MIC-UNK-16ccb665-2
0.543
MIC-UNK-08fa0751-2
0.538
PET-UNK-b87f07d0-3
0.535
VLA-UNK-b9c208fe-2
0.535
RAL-THA-2d450e86-11
0.534
MAT-POS-281d2ee9-3
0.531
LON-WEI-9739a092-8
0.530
MIC-UNK-644c43c7-4
0.526
PET-UNK-c5865d42-1
0.526
LON-WEI-9739a092-3
0.524
RAL-THA-2d450e86-2
0.524
MIC-UNK-644c43c7-3
0.521
MIC-UNK-644c43c7-1
0.520
RAL-THA-2d450e86-16
0.518
RAL-THA-2d450e86-8
0.517
EDJ-MED-50011917-1
0.515
MIC-UNK-644c43c7-2
0.515
LON-WEI-9739a092-1
0.515
LON-WEI-9739a092-10
0.514
VLA-UNK-9a7dc93f-1
0.511
MAT-POS-3b92565d-1
0.511
MAT-POS-bbbbc21a-1
0.511
RAL-THA-2d450e86-29
0.511
PET-UNK-372a2f82-1
0.510
LON-WEI-9739a092-4
0.510
RAL-THA-2d450e86-33
0.506
MAT-POS-23a8a11a-1
0.506
RAL-THA-2d450e86-27
0.506
ALP-POS-d7944b10-16
0.505
LON-WEI-9739a092-9
0.505
RAL-THA-2d450e86-9
0.500
RAL-THA-2d450e86-6
0.500
LON-WEI-9739a092-7
0.500
NAU-LAT-0543f7f2-10
0.495
PET-UNK-c5865d42-2
0.495
VLA-UNK-b9c208fe-1
0.495
MAT-POS-fce787c2-1
0.495
ALP-POS-f13221e1-2
0.495
RAL-THA-2d450e86-3
0.494
RAL-THA-2d450e86-1
0.494
LON-WEI-9739a092-2
0.490
NAU-LAT-30527ac5-4
0.490
RAL-THA-2d450e86-22
0.489
ALP-POS-f13221e1-3
0.489
NAU-LAT-2fed8305-9
0.489