Molecular Properties | |
SMILES: | O=C(NC1CN2CCC1CC2)C1CCOc2ccc(Cl)cc21 |
MW: | 320.13 |
Fraction sp3: | 0.59 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 41.57 |
cLogP: | 2.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-8b8a49e1-3
0.579
MIC-UNK-42806bd5-4
0.551
ALP-POS-8b8a49e1-1
0.537
MIC-UNK-42806bd5-3
0.537
MIC-UNK-fc94cdb5-2
0.537
MIC-UNK-b12b7f76-1
0.524
ALP-POS-8b8a49e1-4
0.518
MIC-UNK-4c7b8ba7-2
0.518
RAL-THA-b74298ba-1
0.506
DAR-DIA-6a508060-7
0.500
NAU-LAT-64bf4c5d-1
0.500
ALP-POS-8b8a49e1-2
0.500
JAN-GHE-f4ca5a00-23
0.500
LON-WEI-0a73fcb8-7
0.500
NAU-LAT-b7d8c353-7
0.494
NAU-LAT-8502cac5-11
0.494
NAU-LAT-8502cac5-15
0.494
JAG-UCB-c61058a9-21
0.494
MIC-UNK-deda7a44-6
0.489
BEN-DND-b89db3f2-2
0.488
RAL-THA-3d7a794f-4
0.488
NAU-LAT-b7d8c353-4
0.488
NAU-LAT-8502cac5-10
0.488
RAL-THA-b74298ba-4
0.483
NAU-LAT-b7d8c353-1
0.483
EDG-MED-fe7487f8-8
0.483
JAN-GHE-f4ca5a00-21
0.483
MIC-UNK-deda7a44-7
0.478
JAG-UCB-c61058a9-2
0.477
EDJ-MED-51d3200d-4
0.477
MAT-POS-968e8d9c-1
0.477
EDG-MED-fe7487f8-9
0.477
JAG-UCB-c61058a9-41
0.477
VLA-UCB-53bdeed6-2
0.477
JAG-UCB-a3ef7265-20
0.477
NAU-LAT-8502cac5-16
0.477
JAG-UCB-119787ef-1
0.477
RAL-THA-b74298ba-3
0.477
PET-UNK-158bee2a-7
0.476
RAL-THA-3d7a794f-1
0.471
JAG-UCB-c61058a9-7
0.471
JAG-UCB-c61058a9-22
0.471
PET-UNK-3e029fdc-1
0.471
ROB-UNI-569bc02e-7
0.467
EDJ-MED-51d3200d-3
0.467
PET-UNK-158bee2a-5
0.466
NAU-LAT-8502cac5-12
0.466
LON-WEI-0a73fcb8-6
0.466
JAG-UCB-c61058a9-44
0.466
ERI-UCB-9c7ec71b-4
0.466
MAK-UNK-919546f0-1
0.466
MAK-UNK-f481d203-1
0.466
JOH-UNI-d0d90dc1-3
0.466
JAN-GHE-f4ca5a00-22
0.466
VLA-UNK-0ffe3317-2
0.466
VLA-UNK-0ffe3317-7
0.466
MAK-UNK-f481d203-2
0.466
MAT-POS-a3f7f96a-2
0.465
JOH-UNI-16fcdf60-1
0.465
JAG-UCB-c61058a9-6
0.465
ADA-UCB-b1b30a00-8
0.462
ROB-UNI-569bc02e-3
0.461
RAL-THA-3d7a794f-2
0.461
RAL-THA-3d7a794f-3
0.461
RAL-THA-b74298ba-2
0.461
JAG-UCB-c61058a9-11
0.461
MAT-POS-b3e365b9-4
0.460
DAR-DIA-6a508060-6
0.460
BRU-CON-c4e3408a-1
0.460
JAN-GHE-f4ca5a00-13
0.460
MAT-POS-b3e365b9-3
0.460
ADA-UCB-dc2b944c-11
0.457
NAU-LAT-8502cac5-14
0.457
MAT-POS-a2421bb6-4
0.456
JAG-UCB-52b62a6f-6
0.456
VLA-UNK-0ffe3317-1
0.456
JAG-UCB-c61058a9-9
0.455
JOH-UNI-1b27fa5e-7
0.455
TAT-ENA-0e28ea53-1
0.455
MAT-POS-afb6844f-1
0.455
MAT-POS-8293a91a-1
0.455
MAT-POS-b5c94171-1
0.455
MAT-POS-7ddaf7de-4
0.455
MAT-POS-51833a24-5
0.452
ADA-UCB-b1b30a00-7
0.452
ROB-UNI-569bc02e-1
0.452
LON-WEI-0a73fcb8-3
0.452
ADA-UCB-dc2b944c-8
0.452
MAK-UNK-8be7dca9-9
0.452
ALF-EVA-5b152d2f-4
0.452
JAN-GHE-f4ca5a00-2
0.452
MAT-POS-51833a24-1
0.451
JOH-SUS-a69c159d-6
0.451
ERI-UCB-a38d41be-1
0.451
MAT-POS-f7918075-1
0.451
PET-UNK-b1ef24dc-7
0.451
ROB-UNI-569bc02e-6
0.451
JAN-GHE-f4ca5a00-1
0.451
BEN-DND-02317c5c-3
0.451
VLA-UCB-1dbca3b4-15
0.451