Molecular Properties | |
SMILES: | O=C(NCn1ccccc1=O)C1CCOc2ccc(Cl)cc21 |
MW: | 318.08 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.33 |
cLogP: | 2.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
NAU-LAT-8502cac5-10
0.512
DAR-DIA-6a508060-7
0.506
NAU-LAT-b7d8c353-7
0.500
MIC-UNK-42806bd5-4
0.500
MAT-POS-51833a24-1
0.489
BEN-DND-02317c5c-3
0.489
LON-WEI-0a73fcb8-6
0.489
PET-UNK-158bee2a-5
0.489
VLA-UNK-0ffe3317-7
0.489
ALP-POS-8b8a49e1-4
0.489
ALP-POS-8b8a49e1-1
0.488
MIC-UNK-42806bd5-3
0.488
MIC-UNK-fc94cdb5-2
0.488
ALP-POS-8b8a49e1-3
0.488
NAU-LAT-8502cac5-13
0.484
ROB-UNI-569bc02e-3
0.484
RAL-THA-3d7a794f-3
0.484
RAL-THA-b74298ba-2
0.484
VLA-UCB-05e51b3f-18
0.479
VLA-UCB-50c39ae8-11
0.479
BEN-DND-b89db3f2-1
0.479
FRA-DIA-e29753f2-1
0.479
LON-WEI-0a73fcb8-4
0.479
NAU-LAT-b7d8c353-3
0.479
JAG-UCB-c61058a9-45
0.479
NAU-LAT-b7d8c353-4
0.477
RAL-THA-3d7a794f-4
0.477
BEN-DND-b89db3f2-2
0.477
JAN-GHE-f4ca5a00-2
0.474
ALP-POS-8b8a49e1-2
0.473
NAU-LAT-64bf4c5d-1
0.473
JAN-GHE-f4ca5a00-23
0.473
MIC-UNK-4c7b8ba7-2
0.472
RAL-THA-04c5403f-1
0.468
JOH-UNI-f51e3bbc-1
0.468
EDJ-MED-ba7e64f2-2
0.468
RAL-THA-3d7a794f-2
0.467
JAG-UCB-a3ef7265-20
0.467
NAU-LAT-8502cac5-11
0.467
JAG-UCB-119787ef-1
0.467
MAT-POS-968e8d9c-1
0.467
MIC-UNK-13557a72-2
0.466
NAU-LAT-b7d8c353-5
0.464
ADA-UCB-dc2b944c-11
0.463
JAG-UCB-52b62a6f-6
0.462
RAL-THA-b74298ba-1
0.461
VLA-UCB-05e51b3f-20
0.458
VLA-UCB-50c39ae8-12
0.458
VLA-UCB-50c39ae8-13
0.458
EDG-MED-0e5afe9d-2
0.458
EDJ-MED-fb4b7746-3
0.458
VLA-UCB-05e51b3f-19
0.458
JOH-SUS-a69c159d-4
0.458
RAL-THA-b74298ba-4
0.457
JAN-GHE-f4ca5a00-1
0.457
EDG-MED-fe7487f8-8
0.457
ERI-UCB-9c7ec71b-4
0.457
ADA-UCB-dc2b944c-9
0.454
EDJ-MED-ba7e64f2-3
0.454
JAG-UCB-52b62a6f-17
0.453
JOH-SUS-a69c159d-1
0.453
VLA-UNK-0ffe3317-3
0.453
JOH-SUS-a69c159d-2
0.453
ADA-UCB-dc2b944c-12
0.453
EDJ-MED-51d3200d-4
0.452
NAU-LAT-8502cac5-16
0.451
EDG-MED-fe7487f8-9
0.451
JAG-UCB-c61058a9-21
0.451
JAG-UCB-c61058a9-41
0.451
VLA-UCB-53bdeed6-2
0.451
NAU-LAT-8502cac5-15
0.451
RAL-THA-b74298ba-3
0.451
PET-UNK-158bee2a-7
0.449
PET-UNK-e274cad4-7
0.448
RAL-THA-9041a04d-3
0.448
RAL-THA-04c5403f-2
0.448
MAT-UCB-70f7c0f7-6
0.448
MIC-UNK-deda7a44-6
0.447
NAU-LAT-28398581-8
0.447
VLA-UNK-0ffe3317-1
0.447
RAL-THA-3d7a794f-1
0.446
JOH-UNI-1b27fa5e-7
0.446
MAT-POS-7ddaf7de-4
0.446
PET-UNK-3e029fdc-1
0.446
JAG-UCB-c61058a9-22
0.446
MIC-UNK-b12b7f76-1
0.446
RAL-THA-9041a04d-1
0.444
ROB-UNI-569bc02e-4
0.444
JAG-UCB-52b62a6f-13
0.443
JOH-SUS-a69c159d-3
0.443
JOH-UNI-1b27fa5e-3
0.443
ROB-UNI-569bc02e-1
0.443
ADA-UCB-b1b30a00-7
0.443
RAL-THA-b00e3cbf-1
0.443
RAL-THA-9041a04d-4
0.443
MAT-POS-a54ce14d-1
0.443
JOH-UNI-1b27fa5e-1
0.443
JAG-UCB-52b62a6f-2
0.443
VLA-UNK-0ffe3317-5
0.443
MAT-POS-b3e365b9-1
0.442