Molecular Properties | |
SMILES: | O=C(Nc1cnoc1C1CC1)[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-c61058a9-11
0.914
JAG-UCB-c61058a9-6
0.646
ERI-UCB-9c7ec71b-2
0.622
EDJ-MED-e9694d2b-1
0.622
VLA-UCB-53bdeed6-3
0.622
JAG-UCB-c61058a9-9
0.610
LON-WEI-0a73fcb8-7
0.583
BRU-CON-c4e3408a-1
0.578
JAN-GHE-f4ca5a00-13
0.578
DAR-DIA-6a508060-6
0.578
MAT-POS-b3e365b9-3
0.578
MAT-POS-b3e365b9-4
0.578
JOH-UNI-1b27fa5e-7
0.571
MAK-UNK-919546f0-1
0.565
MAK-UNK-f481d203-1
0.565
MAK-UNK-f481d203-2
0.565
JAG-UCB-52b62a6f-13
0.562
VLA-UCB-53bdeed6-2
0.560
JOH-UNI-1b27fa5e-6
0.558
BEN-DND-a7517465-10
0.557
BEN-DND-c852c98b-8
0.557
RAL-THA-3d7a794f-4
0.554
BEN-DND-a7517465-5
0.551
NAU-LAT-b7d8c353-2
0.549
JOH-UNI-16fcdf60-1
0.548
MAT-POS-b3e365b9-1
0.545
MAT-POS-b3e365b9-2
0.545
BEN-DND-4f474d93-3
0.545
VLA-UCB-1dbca3b4-15
0.545
ALP-POS-ce760d3f-2
0.545
MAT-POS-f7918075-1
0.545
BEN-DND-4f474d93-1
0.545
MAK-UNK-8be7dca9-9
0.544
VLA-UCB-50c39ae8-13
0.544
VLA-UCB-05e51b3f-20
0.544
JAG-UCB-c61058a9-41
0.541
EDG-MED-5d232de5-2
0.539
BEN-DND-c852c98b-4
0.539
ALP-POS-696356e4-1
0.539
EDG-MED-5d232de5-1
0.539
ADA-UCB-dc2b944c-12
0.539
JOH-SUS-a69c159d-2
0.539
JOH-UNI-1b27fa5e-5
0.539
BEN-DND-4f474d93-2
0.539
ALP-POS-ce760d3f-7
0.539
JOH-SUS-a69c159d-1
0.539
ALP-POS-ce760d3f-3
0.539
WIL-UCB-7ba4ac3a-1
0.538
JAG-UCB-c61058a9-22
0.535
BEN-DND-a7517465-2
0.533
BEN-DND-a7517465-3
0.533
ADA-UCB-dc2b944c-11
0.533
JOH-UNI-f51e3bbc-2
0.533
NAU-LAT-b7d8c353-5
0.533
NAU-LAT-8502cac5-12
0.529
EDG-MED-0e5afe9d-2
0.527
ALF-EVA-5b152d2f-2
0.527
JOH-SUS-a69c159d-3
0.527
ADA-UCB-dc2b944c-8
0.527
JOH-SUS-a69c159d-4
0.527
EDJ-MED-fb4b7746-3
0.527
JOH-UNI-1b27fa5e-1
0.527
EDJ-MED-fb4b7746-2
0.527
JAG-UCB-c61058a9-2
0.523
MAK-UNK-8be7dca9-7
0.522
BEN-DND-a7517465-7
0.522
BEN-DND-a7517465-1
0.522
ADA-UCB-b1b30a00-8
0.522
JOH-SUS-a69c159d-5
0.522
BEN-DND-c852c98b-10
0.522
BEN-DND-a7517465-8
0.522
ALF-EVA-5b152d2f-5
0.521
ALF-EVA-5b152d2f-7
0.521
NAU-LAT-8502cac5-10
0.518
RAL-THA-b74298ba-1
0.518
PET-UNK-3e029fdc-1
0.517
RAL-THA-3d7a794f-1
0.517
NAU-LAT-8502cac5-14
0.516
MAT-POS-f9802937-7
0.516
BEN-DND-c852c98b-3
0.516
MAK-UNK-f481d203-5
0.516
MAK-UNK-f481d203-6
0.516
MAK-UNK-919546f0-3
0.516
BEN-DND-c852c98b-5
0.516
ALF-EVA-5b152d2f-8
0.516
BEN-DND-c852c98b-6
0.516
EDG-MED-fe7487f8-8
0.511
JAG-UCB-c61058a9-44
0.511
JAN-GHE-f4ca5a00-23
0.511
NAU-LAT-b7d8c353-1
0.511
MAT-POS-2bb0cf2b-2
0.511
ALF-EVA-ced740bd-1
0.511
MAK-UNK-8be7dca9-5
0.511
BEN-DND-c852c98b-1
0.511
BEN-DND-c852c98b-7
0.511
EDJ-MED-fb4b7746-1
0.511
BEN-DND-a7517465-11
0.511
NAU-LAT-8502cac5-11
0.506
NAU-LAT-8502cac5-15
0.506
NAU-LAT-8502cac5-16
0.506