Molecular Properties | |
SMILES: | O=C(Nc1cnccc1C1CC1)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 328.1 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 51.22 |
cLogP: | 4.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-e9694d2b-1
1.000
BRU-CON-c4e3408a-1
0.714
MAT-POS-b3e365b9-3
0.714
JAN-GHE-f4ca5a00-13
0.714
MAT-POS-b3e365b9-4
0.714
DAR-DIA-6a508060-6
0.714
MAK-UNK-919546f0-1
0.675
MAK-UNK-f481d203-1
0.675
LON-WEI-0a73fcb8-7
0.675
MAK-UNK-f481d203-2
0.675
BEN-DND-a7517465-7
0.640
BEN-DND-4f474d93-1
0.631
BEN-DND-4f474d93-3
0.631
ALP-POS-ce760d3f-2
0.631
BEN-DND-4f474d93-2
0.624
ALP-POS-ce760d3f-3
0.624
JAG-UCB-c61058a9-7
0.622
NAU-LAT-b7d8c353-5
0.614
RAL-THA-3d7a794f-4
0.605
VLA-UCB-53bdeed6-3
0.595
NAU-LAT-b7d8c353-6
0.593
VLA-UCB-1dbca3b4-15
0.593
MAT-POS-b3e365b9-2
0.593
MAT-POS-b3e365b9-1
0.593
MAT-POS-f7918075-1
0.593
JAG-UCB-c61058a9-11
0.588
JAG-UCB-c61058a9-6
0.578
ADA-UCB-dc2b944c-8
0.573
ADA-UCB-dc2b944c-12
0.568
JOH-SUS-a69c159d-1
0.568
BEN-DND-c852c98b-8
0.568
BEN-DND-a7517465-10
0.568
EDG-MED-5d232de5-1
0.568
EDG-MED-5d232de5-2
0.568
BEN-DND-c852c98b-4
0.568
ALP-POS-ce760d3f-7
0.568
ALP-POS-696356e4-1
0.568
JOH-UNI-1b27fa5e-7
0.565
BEN-DND-a7517465-5
0.562
BEN-DND-a7517465-2
0.562
BEN-DND-a7517465-3
0.562
NAU-LAT-b7d8c353-2
0.560
JOH-UNI-16fcdf60-1
0.560
EDJ-MED-fb4b7746-3
0.556
MAK-UNK-8be7dca9-9
0.556
EDG-MED-0e5afe9d-2
0.556
ALF-EVA-5b152d2f-2
0.556
EDJ-MED-fb4b7746-2
0.556
BEN-DND-a7517465-11
0.554
BEN-DND-c852c98b-1
0.554
JOH-UNI-1b27fa5e-6
0.552
JOH-SUS-a69c159d-2
0.551
MAK-UNK-8be7dca9-7
0.549
BEN-DND-a7517465-1
0.549
BEN-DND-a7517465-8
0.549
BEN-DND-c852c98b-10
0.549
ALF-EVA-5b152d2f-7
0.548
ALF-EVA-5b152d2f-5
0.548
PET-UNK-3e029fdc-1
0.547
RAL-THA-3d7a794f-1
0.547
JAG-UCB-c61058a9-9
0.547
JAG-UCB-52b62a6f-6
0.545
ADA-UCB-dc2b944c-11
0.544
JOH-UNI-f51e3bbc-2
0.543
BEN-DND-c852c98b-5
0.543
BEN-DND-c852c98b-3
0.543
MAT-POS-f9802937-7
0.543
EDJ-MED-fb4b7746-4
0.543
EDG-MED-0e5afe9d-1
0.543
JAG-UCB-52b62a6f-16
0.538
JOH-SUS-a69c159d-3
0.538
JOH-UNI-1b27fa5e-1
0.538
JOH-SUS-a69c159d-4
0.538
JAG-UCB-52b62a6f-13
0.538
MAK-UNK-8be7dca9-5
0.538
BEN-DND-c852c98b-7
0.538
MAT-POS-2bb0cf2b-2
0.538
ALF-EVA-ced740bd-1
0.538
EDJ-MED-fb4b7746-1
0.538
VLA-UCB-53bdeed6-2
0.535
RAL-THA-3d7a794f-2
0.534
RAL-THA-3d7a794f-3
0.534
JOH-UNI-1b27fa5e-5
0.533
JOH-UNI-f51e3bbc-1
0.533
ADA-UCB-b1b30a00-8
0.533
MAK-UNK-8be7dca9-6
0.532
NAU-LAT-b7d8c353-8
0.532
MAK-UNK-8be7dca9-8
0.532
BEN-DND-a7517465-6
0.532
ALF-EVA-ced740bd-2
0.532
RAL-THA-b74298ba-1
0.529
JAG-UCB-c61058a9-22
0.529
MAK-UNK-8be7dca9-2
0.526
ALF-EVA-5b152d2f-8
0.526
BEN-DND-c852c98b-6
0.526
NAU-LAT-b7d8c353-1
0.523
NAU-LAT-8502cac5-12
0.523
JAN-GHE-f4ca5a00-21
0.523
VLA-UCB-05e51b3f-20
0.522
VLA-UCB-50c39ae8-13
0.522