Molecular Properties | |
SMILES: | O=C(Nc1ncc(CO)o1)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 308.06 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 84.59 |
cLogP: | 2.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-8293a91a-1
0.598
NAU-LAT-8502cac5-15
0.585
TAT-ENA-0e28ea53-1
0.578
LON-WEI-0a73fcb8-7
0.571
MAT-POS-1f3c8e6f-1
0.571
RAL-THA-b74298ba-1
0.561
RAL-THA-3d7a794f-4
0.561
JAG-UCB-c61058a9-6
0.554
NAU-LAT-b7d8c353-1
0.553
RAL-THA-b74298ba-4
0.552
JAG-UCB-52b62a6f-2
0.551
PET-UNK-158bee2a-7
0.549
JAG-UCB-119787ef-1
0.548
JAG-UCB-a3ef7265-20
0.548
MAT-POS-b3e365b9-4
0.548
MAT-POS-968e8d9c-1
0.548
NAU-LAT-8502cac5-16
0.548
BRU-CON-c4e3408a-1
0.548
DAR-DIA-6a508060-6
0.548
RAL-THA-b74298ba-3
0.548
EDG-MED-fe7487f8-9
0.548
MAT-POS-b3e365b9-3
0.548
JAN-GHE-f4ca5a00-13
0.548
JAG-UCB-c61058a9-21
0.548
JOH-UNI-1b27fa5e-6
0.547
RAL-THA-b74298ba-2
0.547
RAL-THA-3d7a794f-3
0.547
NAU-LAT-8502cac5-10
0.542
JOH-UNI-1b27fa5e-7
0.541
JAG-UCB-c61058a9-7
0.541
PET-UNK-3e029fdc-1
0.541
MAT-POS-7ddaf7de-4
0.541
JAG-UCB-c61058a9-9
0.541
RAL-THA-3d7a794f-1
0.541
MAT-POS-8040981b-1
0.538
ALP-POS-82da25a3-1
0.538
JOH-UNI-16fcdf60-1
0.536
MAT-POS-a3f7f96a-2
0.536
JOH-UNI-d0d90dc1-3
0.535
EDG-MED-fe7487f8-8
0.535
NAU-LAT-8502cac5-12
0.535
ERI-UCB-9c7ec71b-4
0.535
EDJ-MED-51d3200d-3
0.534
ROB-UNI-569bc02e-6
0.534
VLA-UCB-53bdeed6-2
0.529
NAU-LAT-8502cac5-11
0.529
RAL-THA-3d7a794f-2
0.529
JAG-UCB-c61058a9-11
0.529
ROB-UNI-569bc02e-3
0.529
EDJ-MED-51d3200d-4
0.529
NAU-LAT-8502cac5-13
0.528
PET-UNK-b38839dc-3
0.528
RAL-THA-9041a04d-6
0.528
EDJ-MED-51d3200d-2
0.527
MAT-POS-afb6844f-1
0.523
MAT-POS-b5c94171-1
0.523
JAG-UCB-c61058a9-22
0.523
MAT-POS-a2421bb6-4
0.523
MAT-POS-14f31916-5
0.522
ALP-POS-82da25a3-2
0.522
ALP-POS-8b8a49e1-3
0.519
EDJ-MED-e9694d2b-1
0.517
MAK-UNK-f481d203-1
0.517
LON-WEI-0a73fcb8-6
0.517
JAG-UCB-c61058a9-44
0.517
ERI-UCB-9c7ec71b-2
0.517
VLA-UCB-53bdeed6-3
0.517
JAN-GHE-f4ca5a00-22
0.517
MAK-UNK-f481d203-2
0.517
MAK-UNK-919546f0-1
0.517
MAT-POS-afb6844f-3
0.517
MAT-POS-afb6844f-4
0.517
ERI-UCB-a38d41be-1
0.517
BEN-DND-02317c5c-3
0.517
MAT-POS-a2421bb6-1
0.517
MAT-POS-51833a24-1
0.517
MIC-UNK-7574fcc6-2
0.517
PET-UNK-b1ef24dc-7
0.517
JAG-UCB-52b62a6f-1
0.516
JAG-UCB-52b62a6f-3
0.516
JAG-UCB-c61058a9-32
0.516
MAT-POS-2bb0cf2b-2
0.516
EDJ-MED-fb4b7746-1
0.516
MAT-POS-500f4700-1
0.511
MAT-POS-afb6844f-2
0.511
JAG-UCB-c61058a9-2
0.511
JOH-UNI-1b27fa5e-5
0.511
JOH-SUS-a69c159d-2
0.511
BEN-DND-c852c98b-8
0.511
BEN-DND-a7517465-10
0.511
RAL-THA-9041a04d-5
0.511
RAL-THA-04c5403f-1
0.511
ADA-UCB-dc2b944c-12
0.511
JOH-SUS-a69c159d-1
0.511
MAT-POS-d8472c4f-6
0.511
ADA-UCB-dc2b944c-9
0.511
MAT-POS-14f31916-1
0.511
JOH-SUS-a69c159d-5
0.511
EDJ-MED-51d3200d-1
0.511
NAU-LAT-b7d8c353-4
0.506