Molecular Properties | |
SMILES: | Cc1ncc2ccccc2c1NC(=O)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 352.1 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-UNI-f51e3bbc-3
0.741
ADA-UCB-dc2b944c-9
0.741
JOH-UNI-f51e3bbc-4
0.736
EDJ-MED-ba7e64f2-3
0.626
VLA-UCB-1dbca3b4-15
0.618
MAT-POS-b3e365b9-1
0.618
MAT-POS-f7918075-1
0.618
MAT-POS-b3e365b9-2
0.618
ADA-UCB-dc2b944c-12
0.611
JOH-SUS-a69c159d-1
0.611
JOH-SUS-a69c159d-6
0.600
JOH-UNI-1b27fa5e-2
0.598
MAT-POS-a3f7f96a-2
0.568
JOH-UNI-1b27fa5e-4
0.558
MAT-POS-b5c94171-1
0.556
ADA-UCB-dc2b944c-11
0.553
JOH-SUS-a69c159d-3
0.547
ALF-EVA-5b152d2f-4
0.547
JOH-SUS-a69c159d-4
0.547
JOH-SUS-a69c159d-2
0.543
VLA-UNK-0ffe3317-1
0.538
JAG-UCB-52b62a6f-6
0.538
JOH-UNI-f51e3bbc-2
0.536
VLA-UNK-0ffe3317-7
0.533
PET-UNK-158bee2a-5
0.533
ALF-EVA-5b152d2f-2
0.531
RAL-THA-b00e3cbf-1
0.531
JOH-UNI-1b27fa5e-1
0.531
BEN-DND-c852c98b-1
0.531
PET-UNK-158bee2a-7
0.528
MAT-POS-b3e365b9-4
0.527
MAT-POS-b3e365b9-3
0.527
BRU-CON-c4e3408a-1
0.527
DAR-DIA-6a508060-6
0.527
JAN-GHE-f4ca5a00-13
0.527
MAT-POS-500f4700-1
0.527
BEN-DND-4f474d93-2
0.526
BEN-DND-c852c98b-4
0.526
ALP-POS-ce760d3f-3
0.526
EDJ-MED-ba7e64f2-1
0.526
EDJ-MED-eff36d94-1
0.526
ALP-POS-ce760d3f-4
0.526
VLA-UCB-05e51b3f-4
0.526
VLA-UCB-50c39ae8-1
0.526
MAT-POS-8293a91a-1
0.522
TAT-ENA-0e28ea53-1
0.522
MAT-POS-7ddaf7de-4
0.522
MAT-POS-afb6844f-1
0.522
MAK-UNK-3875bbc8-2
0.521
WIL-UCB-7ba4ac3a-2
0.521
MAT-POS-51833a24-3
0.521
MAT-POS-14f31916-4
0.520
PET-UNK-f4e47ebd-4
0.520
MAT-POS-1f3c8e6f-1
0.516
ERI-UCB-9c7ec71b-2
0.516
EDJ-MED-e9694d2b-1
0.516
ADA-UCB-dc2b944c-8
0.515
JOH-UNI-1b27fa5e-3
0.515
DAR-DIA-5ff57136-14
0.515
JOH-UNI-1b27fa5e-6
0.511
MAT-POS-afb6844f-2
0.511
EDJ-MED-51d3200d-4
0.511
JOH-UNI-f51e3bbc-1
0.510
ALP-POS-696356e4-1
0.510
EDG-MED-5d232de5-2
0.510
ALP-POS-ce760d3f-7
0.510
EDJ-MED-ba7e64f2-2
0.510
EDG-MED-5d232de5-1
0.510
DAR-DIA-6a508060-2
0.510
JAG-UCB-52b62a6f-17
0.510
JOH-UNI-1b27fa5e-5
0.510
BEN-DND-a7517465-7
0.510
MAT-POS-14f31916-1
0.510
BEN-DND-a7517465-1
0.510
MAT-POS-d8472c4f-6
0.510
PET-UNK-ee8352fa-6
0.510
RAL-THA-b74298ba-1
0.505
RAL-THA-3d7a794f-4
0.505
JOH-UNI-1b27fa5e-7
0.505
MAT-POS-a2421bb6-4
0.505
VLA-UCB-50c39ae8-11
0.505
BEN-DND-a7517465-3
0.505
BEN-DND-b89db3f2-1
0.505
PET-UNK-e274cad4-7
0.505
VLA-UCB-05e51b3f-18
0.505
NAU-LAT-b7d8c353-3
0.505
JAG-UCB-c61058a9-45
0.505
FRA-DIA-e29753f2-1
0.505
BEN-DND-c852c98b-3
0.505
BEN-DND-c852c98b-5
0.505
MAT-POS-f9802937-7
0.505
JAG-UCB-52b62a6f-11
0.505
ALP-POS-82da25a3-2
0.505
PET-UNK-ee8352fa-4
0.505
ERI-UCB-8d4e5055-4
0.505
ALF-EVA-5b152d2f-8
0.505
PET-UNK-f4e47ebd-3
0.505
BEN-DND-4f474d93-3
0.500
ALF-EVA-5b152d2f-1
0.500
BEN-DND-a7517465-11
0.500