Molecular Properties | |
SMILES: | O=C(Nc1onc2ccccc12)C1CCOc2ccc(Cl)cc21 |
MW: | 328.06 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 64.36 |
cLogP: | 3.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-52b62a6f-6
0.624
VLA-UNK-0ffe3317-7
0.619
PET-UNK-158bee2a-5
0.619
JOH-UNI-1b27fa5e-1
0.578
JOH-UNI-1b27fa5e-4
0.571
JAG-UCB-c61058a9-6
0.565
VLA-UCB-1dbca3b4-15
0.562
JOH-SUS-a69c159d-6
0.562
MAT-POS-b3e365b9-1
0.562
MAT-POS-b3e365b9-2
0.562
MAT-POS-f7918075-1
0.562
JOH-SUS-a69c159d-3
0.560
ADA-UCB-dc2b944c-12
0.556
JOH-SUS-a69c159d-1
0.556
JAG-UCB-c61058a9-9
0.552
JOH-UNI-1b27fa5e-2
0.543
JOH-UNI-1b27fa5e-3
0.543
JOH-SUS-a69c159d-2
0.538
JAG-UCB-52b62a6f-17
0.538
JOH-UNI-f51e3bbc-3
0.538
ADA-UCB-dc2b944c-9
0.538
ADA-UCB-dc2b944c-10
0.538
JOH-UNI-f51e3bbc-4
0.537
ADA-UCB-dc2b944c-11
0.533
JOH-UNI-f51e3bbc-2
0.532
JOH-SUS-a69c159d-4
0.527
JAN-GHE-f4ca5a00-2
0.527
RAL-THA-b00e3cbf-1
0.527
JOH-UNI-f51e3bbc-1
0.522
EDJ-MED-ba7e64f2-2
0.522
EDJ-MED-eff36d94-1
0.521
ALP-POS-ce760d3f-4
0.521
EDJ-MED-ba7e64f2-3
0.521
TAT-ENA-0e28ea53-1
0.517
VLA-UCB-05e51b3f-18
0.516
VLA-UCB-50c39ae8-11
0.516
BEN-DND-b89db3f2-1
0.516
NAU-LAT-b7d8c353-3
0.516
JAG-UCB-c61058a9-45
0.516
FRA-DIA-e29753f2-1
0.516
PET-UNK-158bee2a-7
0.506
MAT-POS-968e8d9c-1
0.506
JAG-UCB-119787ef-1
0.506
JAG-UCB-a3ef7265-20
0.506
NAU-LAT-8502cac5-15
0.506
NAU-LAT-8502cac5-16
0.506
VLA-UCB-53bdeed6-2
0.506
ROB-UNI-569bc02e-3
0.505
JOH-UNI-1b27fa5e-6
0.505
JAG-UCB-c61058a9-2
0.505
BEN-DND-c852c98b-4
0.505
EDJ-MED-ba7e64f2-1
0.505
JAG-UCB-52b62a6f-9
0.505
MAT-POS-14f31916-5
0.500
JAG-UCB-52b62a6f-5
0.500
JAG-UCB-52b62a6f-7
0.500
NAU-LAT-8502cac5-10
0.500
PET-UNK-3e029fdc-1
0.500
RAL-THA-3d7a794f-1
0.500
RAL-THA-3d7a794f-4
0.500
RAL-THA-b74298ba-1
0.500
JAG-UCB-c61058a9-7
0.500
ALF-EVA-5b152d2f-4
0.495
ADA-UCB-dc2b944c-8
0.495
BEN-DND-4f474d93-3
0.495
ALP-POS-ce760d3f-2
0.495
JAN-GHE-f4ca5a00-1
0.495
BEN-DND-02317c5c-3
0.495
PET-UNK-b1ef24dc-5
0.495
MAT-POS-51833a24-1
0.495
BEN-DND-4f474d93-1
0.495
PET-UNK-b1ef24dc-7
0.495
JOH-UNI-d0d90dc1-3
0.495
NAU-LAT-b7d8c353-1
0.495
NAU-LAT-8502cac5-12
0.495
LON-WEI-0a73fcb8-7
0.495
EDG-MED-fe7487f8-8
0.495
ERI-UCB-9c7ec71b-2
0.495
EDJ-MED-e9694d2b-1
0.495
ERI-UCB-9c7ec71b-4
0.495
JOH-UNI-16fcdf60-1
0.494
MAT-POS-a3f7f96a-2
0.494
BEN-DND-a7517465-1
0.490
BEN-DND-a7517465-7
0.490
JAG-UCB-52b62a6f-12
0.490
ALP-POS-696356e4-1
0.489
ALP-POS-ce760d3f-3
0.489
PET-UNK-b38839dc-3
0.489
EDG-MED-5d232de5-1
0.489
RAL-THA-9041a04d-6
0.489
ALP-POS-ce760d3f-7
0.489
EDG-MED-5d232de5-2
0.489
BEN-DND-4f474d93-2
0.489
RAL-THA-04c5403f-1
0.489
NAU-LAT-8502cac5-13
0.489
MAT-POS-afb6844f-2
0.489
MAT-POS-500f4700-1
0.489
EDJ-MED-51d3200d-4
0.489
JAG-UCB-c61058a9-11
0.489
MAT-POS-b3e365b9-4
0.489