Molecular Properties | |
SMILES: | O=C(Nc1cc(=O)[nH]c2ccccc12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 354.08 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.19 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-c61058a9-45
1.000
VLA-UCB-05e51b3f-18
1.000
VLA-UCB-50c39ae8-11
1.000
FRA-DIA-e29753f2-1
1.000
NAU-LAT-b7d8c353-3
1.000
JAG-UCB-c61058a9-46
0.678
EDJ-MED-ba7e64f2-2
0.589
JOH-UNI-f51e3bbc-1
0.589
MAT-POS-b3e365b9-1
0.578
MAT-POS-b3e365b9-2
0.578
MAT-POS-f7918075-1
0.578
VLA-UCB-1dbca3b4-15
0.578
JAG-UCB-52b62a6f-17
0.571
ADA-UCB-dc2b944c-11
0.565
JOH-SUS-a69c159d-3
0.559
RAL-THA-b00e3cbf-1
0.559
ADA-UCB-dc2b944c-12
0.554
JOH-SUS-a69c159d-1
0.554
JOH-SUS-a69c159d-2
0.554
EDJ-MED-eff36d94-1
0.553
ALP-POS-ce760d3f-4
0.553
JOH-UNI-f51e3bbc-2
0.547
VLA-UCB-53bdeed6-3
0.544
VLA-UNK-0ffe3317-7
0.544
PET-UNK-158bee2a-5
0.544
JOH-UNI-1b27fa5e-1
0.543
JOH-SUS-a69c159d-4
0.543
FRA-DIA-0fa076fe-3
0.539
EDJ-MED-ba7e64f2-3
0.537
JAG-UCB-52b62a6f-6
0.533
EDG-MED-0e5afe9d-2
0.526
EDJ-MED-fb4b7746-3
0.526
EDJ-MED-51d3200d-4
0.522
ADA-UCB-b1b30a00-8
0.521
BEN-DND-a7517465-7
0.521
ADA-UCB-dc2b944c-9
0.521
NAU-LAT-b7d8c353-4
0.517
BEN-DND-b89db3f2-2
0.517
FRA-DIA-0fa076fe-4
0.516
MAT-POS-afb6844f-1
0.516
MAT-POS-7ddaf7de-4
0.516
VLA-UNK-0ffe3317-1
0.516
EDJ-MED-e9694d2b-1
0.511
LON-WEI-0a73fcb8-7
0.511
ERI-UCB-9c7ec71b-2
0.511
JOH-SUS-a69c159d-6
0.511
VLA-UCB-05e51b3f-20
0.510
VLA-UCB-50c39ae8-13
0.510
JOH-UNI-1b27fa5e-2
0.510
JAG-UCB-52b62a6f-13
0.510
ADA-UCB-dc2b944c-8
0.510
BEN-DND-a7517465-11
0.510
MAT-POS-b3e365b9-3
0.505
MAT-POS-b3e365b9-4
0.505
DAR-DIA-6a508060-6
0.505
JAN-GHE-f4ca5a00-13
0.505
BRU-CON-c4e3408a-1
0.505
MAT-POS-afb6844f-2
0.505
JOH-UNI-1b27fa5e-6
0.505
PET-UNK-b38839dc-3
0.505
ADA-UCB-dc2b944c-10
0.505
JOH-UNI-1b27fa5e-4
0.505
JOH-UNI-f51e3bbc-3
0.505
NAU-LAT-b7d8c353-8
0.505
MAK-UNK-8be7dca9-6
0.505
JOH-UNI-1b27fa5e-7
0.500
ALP-POS-b3e0acc5-2
0.500
MAT-POS-14f31916-5
0.500
NAU-LAT-b7d8c353-2
0.500
EDG-MED-0e5afe9d-1
0.500
MAT-POS-8293a91a-1
0.500
EDJ-MED-fb4b7746-4
0.500
MAT-POS-a2421bb6-4
0.500
JAG-UCB-c61058a9-7
0.500
JAG-UCB-c61058a9-22
0.500
JOH-UNI-1b27fa5e-3
0.495
ALP-POS-bea7b391-1
0.495
ALP-POS-ce760d3f-2
0.495
PET-UNK-b1ef24dc-7
0.495
PET-UNK-b1ef24dc-8
0.495
BEN-DND-4f474d93-1
0.495
MAT-POS-afb6844f-3
0.495
EDJ-MED-51d3200d-3
0.495
MAT-POS-a2421bb6-1
0.495
BEN-DND-4f474d93-3
0.495
MAK-UNK-f481d203-1
0.495
MAT-POS-1f3c8e6f-1
0.495
MAK-UNK-919546f0-1
0.495
MAK-UNK-f481d203-2
0.495
JOH-UNI-f51e3bbc-4
0.490
MAT-POS-d8472c4f-6
0.490
MAT-POS-14f31916-1
0.490
BEN-DND-c852c98b-10
0.490
BEN-DND-a7517465-8
0.490
EDJ-MED-ba7e64f2-1
0.490
ALP-POS-ce760d3f-7
0.490
JOH-UNI-1b27fa5e-5
0.490
BEN-DND-4f474d93-2
0.490
BEN-DND-c852c98b-4
0.490
BEN-DND-c852c98b-8
0.490