Molecular Properties | |
SMILES: | O=C1NCCC1NC(=O)C1CCOc2ccc(Cl)cc21 |
MW: | 294.08 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 67.43 |
cLogP: | 1.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-4c7b8ba7-2
0.836
MIC-UNK-fc94cdb5-2
0.690
ALP-POS-8b8a49e1-4
0.640
MIC-UNK-42806bd5-3
0.622
ALP-POS-8b8a49e1-1
0.622
ALP-POS-8b8a49e1-3
0.603
NAU-LAT-64bf4c5d-1
0.595
ALP-POS-8b8a49e1-2
0.595
DAR-DIA-6a508060-7
0.556
MIC-UNK-13557a72-2
0.551
NAU-LAT-b7d8c353-4
0.525
BEN-DND-b89db3f2-2
0.525
NAU-LAT-8502cac5-10
0.525
NAU-LAT-8502cac5-11
0.512
VLA-UCB-53bdeed6-2
0.512
NAU-LAT-b7d8c353-7
0.512
ROB-UNI-569bc02e-5
0.512
JAG-UCB-52b62a6f-6
0.506
MAK-UNK-919546f0-1
0.500
MAK-UNK-f481d203-1
0.500
MAK-UNK-f481d203-2
0.500
LON-WEI-0a73fcb8-7
0.500
MAT-POS-a3f7f96a-2
0.500
JAG-UCB-c61058a9-6
0.500
ERI-UCB-9c7ec71b-2
0.500
EDJ-MED-e9694d2b-1
0.500
JAN-GHE-f4ca5a00-21
0.500
JOH-UNI-16fcdf60-1
0.500
JAN-GHE-f4ca5a00-23
0.500
NAU-LAT-8502cac5-12
0.500
VLA-UNK-0ffe3317-2
0.500
VLA-UCB-53bdeed6-3
0.500
EDJ-MED-ba7e64f2-2
0.494
JOH-UNI-f51e3bbc-1
0.494
MAT-POS-500f4700-1
0.494
MAT-POS-b3e365b9-4
0.494
DAR-DIA-6a508060-6
0.494
BRU-CON-c4e3408a-1
0.494
MAT-POS-968e8d9c-1
0.494
JAG-UCB-119787ef-1
0.494
MAT-POS-b3e365b9-3
0.494
JAN-GHE-f4ca5a00-13
0.494
JAG-UCB-c61058a9-41
0.494
JAG-UCB-a3ef7265-20
0.494
PET-UNK-158bee2a-7
0.494
JAG-UCB-52b62a6f-4
0.489
JAG-UCB-52b62a6f-7
0.489
MAT-POS-b5c94171-1
0.488
JAG-UCB-c61058a9-7
0.488
JAG-UCB-c61058a9-9
0.488
JAG-UCB-c61058a9-22
0.488
MAT-POS-8293a91a-1
0.488
MIC-UNK-b12b7f76-1
0.488
RAL-THA-3d7a794f-4
0.488
RAL-THA-b74298ba-1
0.488
JAG-UCB-52b62a6f-16
0.483
ADA-UCB-b1b30a00-7
0.483
ROB-UNI-569bc02e-1
0.483
JOH-SUS-a69c159d-6
0.483
ROB-UNI-569bc02e-6
0.483
NAU-LAT-b7d8c353-1
0.482
LON-WEI-0a73fcb8-6
0.482
EDG-MED-fe7487f8-8
0.482
ERI-UCB-9c7ec71b-4
0.482
JAN-GHE-f4ca5a00-22
0.482
EDJ-MED-ba7e64f2-3
0.478
JOH-SUS-a69c159d-7
0.478
JAG-UCB-52b62a6f-9
0.477
RAL-THA-3d7a794f-2
0.477
JAG-UCB-c61058a9-2
0.477
JAG-UCB-c61058a9-11
0.477
ROB-UNI-569bc02e-3
0.477
RAL-THA-b74298ba-3
0.476
EDG-MED-fe7487f8-9
0.476
JAG-UCB-c61058a9-21
0.476
NAU-LAT-8502cac5-15
0.476
NAU-LAT-8502cac5-16
0.476
JAG-UCB-52b62a6f-5
0.472
BEN-DND-b89db3f2-1
0.472
NAU-LAT-b7d8c353-3
0.472
JAG-UCB-c61058a9-45
0.472
FRA-DIA-e29753f2-1
0.472
VLA-UCB-05e51b3f-18
0.472
VLA-UCB-50c39ae8-11
0.472
ADA-UCB-b1b30a00-6
0.472
MIC-UNK-deda7a44-6
0.471
RAL-THA-3d7a794f-1
0.471
JOH-UNI-1b27fa5e-7
0.471
MAT-POS-afb6844f-1
0.471
MAT-POS-7ddaf7de-4
0.471
TAT-ENA-0e28ea53-1
0.471
PET-UNK-3e029fdc-1
0.471
EDG-MED-0e5afe9d-2
0.467
JAG-UCB-52b62a6f-13
0.467
ROB-UNI-569bc02e-7
0.467
VLA-UCB-05e51b3f-19
0.467
VLA-UCB-50c39ae8-12
0.467
JAG-UCB-52b62a6f-3
0.467
RAL-THA-9041a04d-4
0.467
MAT-POS-a54ce14d-1
0.467