Molecular Properties | |
SMILES: | Cn1ccc(NC(=O)C2CCOc3ccc(Cl)cc32)cc1=O |
MW: | 318.08 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 60.33 |
cLogP: | 2.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
VLA-UCB-1dbca3b4-15
NAU-LAT-b7d8c353-4
0.620
BEN-DND-b89db3f2-2
0.620
RAL-THA-3d7a794f-4
0.580
RAL-THA-b74298ba-1
0.580
NAU-LAT-8502cac5-10
0.580
JAG-UCB-119787ef-1
0.548
EDG-MED-fe7487f8-9
0.548
JAG-UCB-a3ef7265-20
0.548
RAL-THA-b74298ba-3
0.548
MAT-POS-968e8d9c-1
0.548
NAU-LAT-b7d8c353-1
0.535
JAG-UCB-c61058a9-44
0.535
ERI-UCB-9c7ec71b-4
0.535
EDG-MED-fe7487f8-8
0.535
ERI-UCB-a38d41be-1
0.534
NAU-LAT-8502cac5-11
0.529
JAN-GHE-f4ca5a00-13
0.529
MAT-POS-b3e365b9-3
0.529
MAT-POS-b3e365b9-4
0.529
NAU-LAT-8502cac5-16
0.529
BRU-CON-c4e3408a-1
0.529
JAG-UCB-c61058a9-21
0.529
DAR-DIA-6a508060-6
0.529
JAG-UCB-c61058a9-2
0.529
JAG-UCB-c61058a9-6
0.518
JOH-UNI-16fcdf60-1
0.518
MAK-UNK-919546f0-1
0.517
JOH-UNI-d0d90dc1-3
0.517
MAK-UNK-f481d203-2
0.517
LON-WEI-0a73fcb8-6
0.517
MAK-UNK-f481d203-1
0.517
ROB-UNI-569bc02e-1
0.516
ADA-UCB-b1b30a00-7
0.516
MIC-UNK-42806bd5-4
0.512
NAU-LAT-8502cac5-15
0.512
RAL-THA-3d7a794f-2
0.511
RAL-THA-3d7a794f-3
0.511
RAL-THA-b74298ba-2
0.511
JAG-UCB-c61058a9-9
0.506
JAG-UCB-c61058a9-22
0.506
RAL-THA-3d7a794f-1
0.506
JAG-UCB-c61058a9-7
0.506
PET-UNK-3e029fdc-1
0.506
MIC-UNK-deda7a44-6
0.506
NAU-LAT-b7d8c353-5
0.505
EDJ-MED-fb4b7746-4
0.505
EDG-MED-0e5afe9d-1
0.505
RAL-THA-b74298ba-4
0.500
LON-WEI-0a73fcb8-7
0.500
ERI-UCB-9c7ec71b-2
0.500
MIC-UNK-fc94cdb5-2
0.500
MAT-POS-2bb0cf2b-2
0.500
ALP-POS-8b8a49e1-3
0.500
ALP-POS-8b8a49e1-4
0.500
EDJ-MED-fb4b7746-1
0.500
JAG-UCB-c61058a9-32
0.500
EDJ-MED-e9694d2b-1
0.500
ROB-UNI-569bc02e-7
0.500
NAU-LAT-8502cac5-13
0.495
JAG-UCB-c61058a9-11
0.494
ROB-UNI-569bc02e-3
0.494
JAG-UCB-c61058a9-41
0.494
VLA-UCB-53bdeed6-2
0.494
MIC-UNK-13557a72-2
0.494
NAU-LAT-b7d8c353-6
0.490
JAG-UCB-52b62a6f-11
0.489
NAU-LAT-8502cac5-14
0.489
JOH-UNI-1b27fa5e-7
0.489
JAG-UCB-52b62a6f-14
0.484
JAG-UCB-52b62a6f-3
0.484
BEN-DND-4f474d93-1
0.484
BEN-DND-4f474d93-3
0.484
ALP-POS-ce760d3f-2
0.484
ROB-UNI-569bc02e-6
0.484
NAU-LAT-8502cac5-12
0.483
VLA-UCB-53bdeed6-3
0.483
MIC-UNK-4c7b8ba7-2
0.483
ALP-POS-8b8a49e1-1
0.482
MIC-UNK-42806bd5-3
0.482
ADA-UCB-dc2b944c-10
0.479
JOH-SUS-a69c159d-1
0.478
JOH-UNI-1b27fa5e-5
0.478
MIC-UNK-deda7a44-7
0.478
JOH-UNI-f51e3bbc-1
0.478
BEN-DND-4f474d93-2
0.478
ADA-UCB-dc2b944c-12
0.478
ALP-POS-ce760d3f-3
0.478
JAG-UCB-52b62a6f-9
0.478
ROB-UNI-569bc02e-5
0.478
JOH-UNI-1b27fa5e-6
0.478
JAG-UCB-52b62a6f-4
0.473
VLA-UCB-05e51b3f-18
0.473
ADA-UCB-dc2b944c-11
0.473
BEN-DND-a7517465-3
0.473
BEN-DND-b89db3f2-1
0.473
JAG-UCB-c61058a9-45
0.473
FRA-DIA-e29753f2-1
0.473
VLA-UCB-50c39ae8-11
0.473
NAU-LAT-b7d8c353-3
0.473
MAT-UCB-70f7c0f7-6
0.473