Molecular Properties | |
SMILES: | CC(=O)N[C@H](C)CCc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1 |
MW: | 409.16 |
Fraction sp3: | 0.26 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 71.09 |
cLogP: | 4.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-bb7ffe78-3
0.734
PET-UNK-b87f07d0-1
0.698
PET-UNK-1e7f2e90-1
0.687
PET-UNK-bb7ffe78-1
0.675
RAL-THA-1d44ff04-3
0.675
MIC-UNK-644c43c7-1
0.652
MAT-POS-fce787c2-2
0.649
MIC-UNK-644c43c7-2
0.644
RAL-THA-2d450e86-15
0.622
MAT-POS-281d2ee9-1
0.621
RAL-THA-1d44ff04-9
0.621
RAL-THA-1d44ff04-6
0.621
MAT-POS-3b92565d-2
0.619
ALP-POS-3b848b35-1
0.619
RAL-THA-2d450e86-18
0.619
MIC-UNK-644c43c7-3
0.618
PET-UNK-b87f07d0-3
0.613
DAR-DIA-0587064e-2
0.607
MIC-UNK-644c43c7-4
0.607
RAL-THA-1d44ff04-10
0.605
RAL-THA-2d450e86-14
0.602
MIC-UNK-16ccb665-3
0.593
PET-UNK-8c422e11-3
0.591
MIC-UNK-16ccb665-2
0.591
MIC-UNK-16ccb665-1
0.591
DAR-DIA-0587064e-4
0.589
PET-UNK-c5865d42-1
0.589
PET-UNK-b87f07d0-4
0.588
DAR-DIA-0587064e-7
0.587
PET-UNK-372a2f82-1
0.587
RAL-THA-1d44ff04-4
0.581
PET-UNK-8c422e11-1
0.580
RAL-THA-1d44ff04-5
0.580
EDJ-MED-50011917-1
0.576
MAT-POS-cc05818f-1
0.575
RAL-THA-2d450e86-17
0.575
NAU-LAT-0543f7f2-9
0.574
PET-UNK-8c422e11-4
0.571
RAL-THA-1d44ff04-13
0.568
RAL-THA-2d450e86-30
0.568
PET-UNK-bb7ffe78-2
0.567
RAL-THA-1d44ff04-11
0.567
PET-UNK-8c422e11-2
0.567
DAR-DIA-0587064e-5
0.559
DAR-DIA-0587064e-3
0.559
ADA-UCB-6c2cb422-1
0.554
DAR-DIA-0587064e-6
0.552
MIC-UNK-08fa0751-2
0.549
MAT-POS-9ff17035-3
0.548
VLA-UNK-b9c208fe-2
0.548
DAR-DIA-0587064e-1
0.547
RAL-THA-1d44ff04-2
0.541
VLA-UNK-9a7dc93f-1
0.540
RAL-THA-1d44ff04-7
0.538
RAL-THA-2d450e86-2
0.537
NAU-LAT-2fed8305-9
0.536
RAL-THA-1d44ff04-8
0.532
MAT-POS-281d2ee9-2
0.532
PET-UNK-cf04cb02-1
0.531
RAL-THA-2d450e86-16
0.530
RAL-THA-2d450e86-9
0.529
MAT-POS-281d2ee9-3
0.526
RAL-THA-1d44ff04-1
0.525
DAR-DIA-0587064e-8
0.525
LON-WEI-9739a092-8
0.525
NAU-LAT-2fed8305-5
0.523
ALP-POS-3b848b35-2
0.520
EDJ-MED-7320d5d2-1
0.520
MAT-POS-3b92565d-3
0.520
RAL-THA-2d450e86-36
0.518
MAT-POS-23a8a11a-1
0.518
LON-WEI-9739a092-9
0.515
MAT-POS-9ff17035-2
0.515
RAL-THA-2d450e86-13
0.512
RAL-THA-2d450e86-6
0.511
RAL-THA-2d450e86-8
0.511
LON-WEI-9739a092-7
0.510
RAL-THA-2d450e86-1
0.506
RAL-THA-2d450e86-3
0.506
VLA-UNK-b9c208fe-1
0.505
PET-UNK-c5865d42-2
0.505
MAT-POS-9ff17035-1
0.505
RAL-THA-1d44ff04-12
0.505
LON-WEI-9739a092-4
0.505
LON-WEI-9739a092-3
0.505
RAL-THA-2d450e86-25
0.500
RAL-THA-2d450e86-37
0.500
VLA-UNK-9a7dc93f-2
0.500
PET-UNK-dd44aeb6-1
0.500
ALP-POS-f13221e1-3
0.500
RAL-THA-2d450e86-27
0.500
LON-WEI-9739a092-6
0.495
LON-WEI-9739a092-1
0.495
ROB-UNI-611831f5-1
0.495
ALP-POS-fab80cf2-1
0.495
RAL-THA-2d450e86-11
0.494
MAT-POS-afd4d4fd-3
0.494
RAL-THA-2d450e86-35
0.494
MAT-POS-bbbbc21a-1
0.489
MAT-POS-3b92565d-1
0.489