Molecular Properties | |
SMILES: | O=C1NCCCC1NC(=O)C1CCOc2ccc(Cl)cc21 |
MW: | 308.09 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 67.43 |
cLogP: | 1.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-42806bd5-4
0.836
MIC-UNK-fc94cdb5-2
0.645
ALP-POS-8b8a49e1-1
0.582
MIC-UNK-42806bd5-3
0.582
ALP-POS-8b8a49e1-4
0.580
ALP-POS-8b8a49e1-3
0.564
NAU-LAT-64bf4c5d-1
0.560
ALP-POS-8b8a49e1-2
0.560
DAR-DIA-6a508060-7
0.523
MIC-UNK-13557a72-2
0.518
NAU-LAT-8502cac5-10
0.494
BEN-DND-b89db3f2-2
0.494
NAU-LAT-b7d8c353-4
0.494
NAU-LAT-8502cac5-11
0.483
NAU-LAT-b7d8c353-7
0.483
VLA-UCB-53bdeed6-2
0.483
PET-UNK-158bee2a-7
0.482
JAG-UCB-c61058a9-9
0.477
MAK-UNK-919546f0-1
0.472
MAK-UNK-f481d203-1
0.472
NAU-LAT-8502cac5-12
0.472
EDJ-MED-e9694d2b-1
0.472
ERI-UCB-9c7ec71b-2
0.472
VLA-UNK-0ffe3317-2
0.472
MAK-UNK-f481d203-2
0.472
JAN-GHE-f4ca5a00-23
0.472
JAN-GHE-f4ca5a00-21
0.472
LON-WEI-0a73fcb8-7
0.472
VLA-UCB-53bdeed6-3
0.472
ERI-UCB-9c7ec71b-4
0.472
JAG-UCB-c61058a9-6
0.471
MAT-POS-a3f7f96a-2
0.471
JOH-UNI-16fcdf60-1
0.471
JOH-UNI-f51e3bbc-1
0.467
ROB-UNI-569bc02e-5
0.467
EDJ-MED-ba7e64f2-2
0.467
JAG-UCB-c61058a9-11
0.467
MAT-POS-500f4700-1
0.467
BRU-CON-c4e3408a-1
0.466
JAG-UCB-c61058a9-41
0.466
JAG-UCB-a3ef7265-20
0.466
JAG-UCB-119787ef-1
0.466
MAT-POS-b3e365b9-4
0.466
MAT-POS-968e8d9c-1
0.466
DAR-DIA-6a508060-6
0.466
JAN-GHE-f4ca5a00-13
0.466
MAT-POS-b3e365b9-3
0.466
VLA-UCB-05e51b3f-18
0.462
BEN-DND-b89db3f2-1
0.462
NAU-LAT-b7d8c353-3
0.462
VLA-UCB-50c39ae8-11
0.462
JAG-UCB-c61058a9-45
0.462
FRA-DIA-e29753f2-1
0.462
MIC-UNK-deda7a44-6
0.462
JAG-UCB-52b62a6f-6
0.462
JAG-UCB-c61058a9-7
0.461
MAT-POS-b5c94171-1
0.461
MAT-POS-8293a91a-1
0.461
MIC-UNK-b12b7f76-1
0.461
JAG-UCB-c61058a9-22
0.461
RAL-THA-3d7a794f-4
0.460
RAL-THA-b74298ba-1
0.460
VLA-UCB-05e51b3f-19
0.457
VLA-UCB-05e51b3f-20
0.457
VLA-UCB-50c39ae8-13
0.457
VLA-UCB-50c39ae8-12
0.457
ADA-UCB-b1b30a00-7
0.457
ROB-UNI-569bc02e-1
0.457
JAG-UCB-52b62a6f-16
0.457
BEN-DND-4f474d93-1
0.457
BEN-DND-4f474d93-3
0.457
ALP-POS-ce760d3f-2
0.457
ROB-UNI-569bc02e-6
0.457
NAU-LAT-b7d8c353-1
0.456
LON-WEI-0a73fcb8-6
0.456
EDG-MED-fe7487f8-8
0.456
JAN-GHE-f4ca5a00-22
0.456
JOH-SUS-a69c159d-7
0.453
BEN-DND-a7517465-7
0.453
EDJ-MED-ba7e64f2-3
0.453
MIC-UNK-deda7a44-7
0.452
JAG-UCB-c61058a9-2
0.451
ROB-UNI-569bc02e-3
0.451
RAL-THA-3d7a794f-2
0.451
NAU-LAT-8502cac5-15
0.449
NAU-LAT-8502cac5-16
0.449
JAG-UCB-c61058a9-21
0.449
RAL-THA-b74298ba-3
0.449
EDG-MED-fe7487f8-9
0.449
NAU-LAT-b7d8c353-2
0.448
RAL-THA-9041a04d-7
0.448
RAL-THA-9041a04d-2
0.448
JAG-UCB-52b62a6f-7
0.447
ADA-UCB-b1b30a00-6
0.447
MAT-POS-afb6844f-5
0.447
TAT-ENA-0e28ea53-1
0.444
MAT-POS-afb6844f-1
0.444
RAL-THA-3d7a794f-1
0.444
MAT-POS-7ddaf7de-4
0.444
JOH-UNI-1b27fa5e-7
0.444