Molecular Properties | |
SMILES: | O=C1CCC(NC(=O)C2CCOc3ccc(Cl)cc32)C1 |
MW: | 293.08 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 55.4 |
cLogP: | 2.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
Ketone
ALP-POS-8b8a49e1-4
0.694
ALP-POS-8b8a49e1-1
0.676
MIC-UNK-42806bd5-3
0.676
MIC-UNK-fc94cdb5-2
0.630
MIC-UNK-42806bd5-4
0.603
MIC-UNK-13557a72-2
0.579
MIC-UNK-4c7b8ba7-2
0.564
NAU-LAT-64bf4c5d-1
0.562
ALP-POS-8b8a49e1-2
0.562
DAR-DIA-6a508060-7
0.543
RAL-THA-b74298ba-1
0.532
JAN-GHE-f4ca5a00-21
0.524
JAG-UCB-a3ef7265-20
0.519
NAU-LAT-8502cac5-15
0.519
JAG-UCB-c61058a9-41
0.519
JAG-UCB-119787ef-1
0.519
MAT-POS-968e8d9c-1
0.519
NAU-LAT-8502cac5-10
0.512
RAL-THA-3d7a794f-4
0.512
BEN-DND-b89db3f2-2
0.512
NAU-LAT-b7d8c353-4
0.512
JAN-GHE-f4ca5a00-22
0.506
ERI-UCB-9c7ec71b-4
0.506
EDG-MED-fe7487f8-8
0.506
NAU-LAT-b7d8c353-7
0.500
EDG-MED-fe7487f8-9
0.500
PET-UNK-158bee2a-7
0.500
NAU-LAT-8502cac5-16
0.500
RAL-THA-3d7a794f-2
0.500
RAL-THA-b74298ba-2
0.500
RAL-THA-b74298ba-3
0.500
JAG-UCB-c61058a9-21
0.500
RAL-THA-3d7a794f-3
0.500
NAU-LAT-8502cac5-11
0.500
MIC-UNK-deda7a44-6
0.494
ALP-POS-b3e0acc5-2
0.494
MIC-UNK-b12b7f76-1
0.494
RAL-THA-3d7a794f-1
0.494
PET-UNK-3e029fdc-1
0.494
JAN-GHE-f4ca5a00-2
0.489
ERI-UCB-a38d41be-1
0.488
RAL-THA-b74298ba-4
0.488
JAN-GHE-f4ca5a00-1
0.488
NAU-LAT-b7d8c353-1
0.488
MAK-UNK-919546f0-1
0.488
MAK-UNK-f481d203-2
0.488
LON-WEI-0a73fcb8-7
0.488
JOH-UNI-d0d90dc1-3
0.488
MAK-UNK-f481d203-1
0.488
JAN-GHE-f4ca5a00-23
0.488
VLA-UNK-0ffe3317-2
0.488
JAG-UCB-c61058a9-6
0.488
JOH-UNI-16fcdf60-1
0.488
MAT-POS-a3f7f96a-2
0.488
JOH-UNI-1b27fa5e-5
0.483
EDJ-MED-ba7e64f2-2
0.483
MIC-UNK-deda7a44-7
0.483
PET-UNK-b38839dc-3
0.483
JOH-UNI-f51e3bbc-1
0.483
MAT-POS-afb6844f-2
0.482
EDJ-MED-51d3200d-4
0.482
MAT-POS-b3e365b9-4
0.482
JAN-GHE-f4ca5a00-13
0.482
BRU-CON-c4e3408a-1
0.482
DAR-DIA-6a508060-6
0.482
VLA-UCB-53bdeed6-2
0.482
MAT-POS-b3e365b9-3
0.482
VLA-UCB-05e51b3f-18
0.477
VLA-UCB-50c39ae8-11
0.477
NAU-LAT-b7d8c353-3
0.477
JAG-UCB-c61058a9-45
0.477
FRA-DIA-e29753f2-1
0.477
BEN-DND-b89db3f2-1
0.477
MAT-UCB-70f7c0f7-6
0.477
RAL-THA-04c5403f-2
0.477
JAG-UCB-52b62a6f-6
0.477
JOH-UNI-1b27fa5e-7
0.476
MAT-POS-8293a91a-1
0.476
MAT-POS-b5c94171-1
0.476
JAG-UCB-c61058a9-9
0.476
JAG-UCB-c61058a9-22
0.476
JAG-UCB-c61058a9-7
0.476
MAT-POS-afb6844f-1
0.476
TAT-ENA-0e28ea53-1
0.476
MAT-POS-7ddaf7de-4
0.476
ROB-UNI-569bc02e-1
0.472
JAG-UCB-c61058a9-32
0.472
MAK-UNK-8be7dca9-9
0.472
ADA-UCB-b1b30a00-7
0.472
MAT-POS-a2421bb6-1
0.471
PET-UNK-b1ef24dc-7
0.471
MAT-POS-afb6844f-4
0.471
EDJ-MED-51d3200d-3
0.471
MAT-POS-1f3c8e6f-1
0.471
LON-WEI-0a73fcb8-6
0.471
PET-UNK-158bee2a-5
0.471
VLA-UNK-0ffe3317-7
0.471
NAU-LAT-8502cac5-12
0.471
JAG-UCB-c61058a9-44
0.471
ERI-UCB-9c7ec71b-2
0.471