Molecular Properties | |
SMILES: | O=C(Nc1oncc1C1CC1)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 318.08 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 64.36 |
cLogP: | 3.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-c61058a9-9
0.912
JAG-UCB-c61058a9-7
0.646
JAG-UCB-c61058a9-11
0.610
PET-UNK-b1ef24dc-7
0.595
EDJ-MED-e9694d2b-1
0.578
ERI-UCB-9c7ec71b-2
0.578
VLA-UCB-53bdeed6-2
0.573
JAG-UCB-c61058a9-2
0.571
RAL-THA-3d7a794f-4
0.568
VLA-UNK-0ffe3317-1
0.565
JOH-UNI-16fcdf60-1
0.561
LON-WEI-0a73fcb8-7
0.560
VLA-UCB-53bdeed6-3
0.560
MAT-POS-afb6844f-4
0.558
PET-UNK-b1ef24dc-5
0.558
PET-UNK-158bee2a-7
0.556
JAG-UCB-c61058a9-41
0.554
MAT-POS-8040981b-1
0.544
NAU-LAT-8502cac5-12
0.541
MAT-POS-b3e365b9-2
0.540
VLA-UCB-1dbca3b4-15
0.540
PET-UNK-b1ef24dc-8
0.540
MAT-POS-f7918075-1
0.540
BEN-DND-4f474d93-3
0.540
ALP-POS-ce760d3f-2
0.540
MAT-POS-b3e365b9-1
0.540
BEN-DND-4f474d93-1
0.540
MAK-UNK-8be7dca9-9
0.539
BRU-CON-c4e3408a-1
0.536
MAT-POS-b3e365b9-3
0.536
MAT-POS-b3e365b9-4
0.536
NAU-LAT-8502cac5-15
0.536
DAR-DIA-6a508060-6
0.536
JAN-GHE-f4ca5a00-13
0.536
EDJ-MED-ba7e64f2-1
0.534
JOH-SUS-a69c159d-1
0.534
JOH-SUS-a69c159d-2
0.534
BEN-DND-c852c98b-4
0.534
ALP-POS-696356e4-1
0.534
ALP-POS-ce760d3f-7
0.534
ADA-UCB-dc2b944c-12
0.534
EDG-MED-5d232de5-1
0.534
BEN-DND-4f474d93-2
0.534
PET-UNK-b38839dc-3
0.534
ALP-POS-ce760d3f-3
0.534
EDG-MED-5d232de5-2
0.534
RAL-THA-b74298ba-1
0.530
NAU-LAT-8502cac5-10
0.530
JAG-UCB-c61058a9-22
0.529
TAT-ENA-0e28ea53-1
0.529
RAL-THA-3d7a794f-1
0.529
PET-UNK-3e029fdc-1
0.529
MAT-POS-7ddaf7de-4
0.529
MAT-POS-afb6844f-1
0.529
JOH-UNI-1b27fa5e-7
0.529
MAT-POS-8293a91a-1
0.529
JAG-UCB-52b62a6f-6
0.529
MAT-POS-afb6844f-5
0.528
PET-UNK-7f7e354d-1
0.528
NAU-LAT-8502cac5-14
0.528
MAT-POS-14f31916-5
0.528
ADA-UCB-dc2b944c-11
0.528
ALP-POS-82da25a3-1
0.527
ALP-POS-82da25a3-2
0.527
JOH-UNI-f51e3bbc-2
0.527
BEN-DND-c852c98b-3
0.527
MAT-POS-a3f7f96a-2
0.524
NAU-LAT-b7d8c353-1
0.523
MAT-POS-1f3c8e6f-1
0.523
MAK-UNK-f481d203-1
0.523
JAG-UCB-c61058a9-44
0.523
JAN-GHE-f4ca5a00-22
0.523
MAK-UNK-919546f0-1
0.523
MAK-UNK-f481d203-2
0.523
MIC-UNK-7574fcc6-2
0.523
BEN-DND-02317c5c-3
0.523
MAT-POS-51833a24-1
0.523
ADA-UCB-dc2b944c-8
0.522
JOH-SUS-a69c159d-3
0.522
JOH-SUS-a69c159d-4
0.522
JOH-UNI-1b27fa5e-1
0.522
RAL-THA-b00e3cbf-1
0.522
PET-UNK-03fd2068-1
0.522
ALF-EVA-5b152d2f-2
0.522
PET-UNK-6314f867-1
0.522
MAT-POS-a2421bb6-3
0.522
JAG-UCB-119787ef-1
0.518
MAT-POS-968e8d9c-1
0.518
JAG-UCB-a3ef7265-20
0.518
NAU-LAT-8502cac5-11
0.518
NAU-LAT-8502cac5-16
0.518
RAL-THA-b74298ba-3
0.518
EDG-MED-fe7487f8-9
0.518
JAG-UCB-c61058a9-21
0.518
NAU-LAT-b7d8c353-7
0.518
RAL-THA-3d7a794f-3
0.517
EDJ-MED-51d3200d-4
0.517
MAT-POS-afb6844f-2
0.517
RAL-THA-3d7a794f-2
0.517
ROB-UNI-569bc02e-3
0.517