Molecular Properties | |
SMILES: | O=C(Nc1cnoc1C1CCC1)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 332.09 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 64.36 |
cLogP: | 4.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-c61058a9-7
0.914
JAG-UCB-c61058a9-9
0.654
JAG-UCB-c61058a9-6
0.610
MAT-POS-afb6844f-5
0.591
EDJ-MED-e9694d2b-1
0.588
ERI-UCB-9c7ec71b-2
0.588
VLA-UCB-53bdeed6-3
0.588
PET-UNK-b1ef24dc-5
0.586
PET-UNK-b1ef24dc-7
0.586
LON-WEI-0a73fcb8-7
0.570
DAR-DIA-6a508060-6
0.565
BRU-CON-c4e3408a-1
0.565
JAN-GHE-f4ca5a00-13
0.565
MAT-POS-b3e365b9-4
0.565
MAT-POS-b3e365b9-3
0.565
BEN-DND-a7517465-10
0.562
BEN-DND-c852c98b-8
0.562
ALF-EVA-5b152d2f-7
0.559
ALF-EVA-5b152d2f-5
0.559
JOH-UNI-1b27fa5e-7
0.558
MAT-POS-8293a91a-1
0.558
MAT-POS-afb6844f-1
0.558
MAT-POS-7ddaf7de-4
0.558
MAT-POS-1f3c8e6f-1
0.552
MAK-UNK-f481d203-1
0.552
MAK-UNK-919546f0-1
0.552
MAK-UNK-f481d203-2
0.552
MAT-POS-afb6844f-4
0.551
JAG-UCB-52b62a6f-13
0.549
JOH-UNI-1b27fa5e-6
0.545
EDJ-MED-51d3200d-4
0.545
MAT-POS-afb6844f-2
0.545
BEN-DND-4f474d93-2
0.544
ALP-POS-ce760d3f-3
0.544
WIL-UCB-7ba4ac3a-1
0.543
RAL-THA-3d7a794f-4
0.541
ALP-POS-b3e0acc5-2
0.539
MAT-POS-a2421bb6-4
0.539
BEN-DND-a7517465-5
0.538
MIC-UNK-b904ca85-2
0.538
BEN-DND-4f474d93-1
0.533
BEN-DND-4f474d93-3
0.533
EDJ-MED-51d3200d-3
0.533
PET-UNK-b1ef24dc-8
0.533
MIC-UNK-7574fcc6-2
0.533
MAT-POS-a2421bb6-1
0.533
VLA-UCB-1dbca3b4-15
0.533
MAT-POS-b3e365b9-2
0.533
ALP-POS-ce760d3f-2
0.533
MAT-POS-afb6844f-3
0.533
MAT-POS-b3e365b9-1
0.533
MAT-POS-f7918075-1
0.533
MAK-UNK-8be7dca9-9
0.533
VLA-UCB-05e51b3f-20
0.533
VLA-UCB-50c39ae8-13
0.533
MIC-UNK-b904ca85-4
0.532
PET-UNK-158bee2a-7
0.529
JAG-UCB-c61058a9-41
0.529
VLA-UCB-53bdeed6-2
0.529
JOH-SUS-a69c159d-1
0.527
JOH-SUS-a69c159d-2
0.527
ALP-POS-696356e4-1
0.527
EDG-MED-5d232de5-2
0.527
EDG-MED-5d232de5-1
0.527
EDJ-MED-ba7e64f2-1
0.527
PET-UNK-b38839dc-3
0.527
ADA-UCB-dc2b944c-12
0.527
ALP-POS-ce760d3f-7
0.527
JOH-UNI-1b27fa5e-5
0.527
BEN-DND-c852c98b-4
0.527
MAT-POS-a2421bb6-2
0.527
MIC-UNK-b904ca85-3
0.526
MIC-UNK-b904ca85-1
0.526
JAG-UCB-c61058a9-22
0.523
BEN-DND-a7517465-3
0.522
PET-UNK-b1ef24dc-6
0.522
ADA-UCB-dc2b944c-11
0.522
PET-UNK-7f7e354d-1
0.522
BEN-DND-a7517465-2
0.522
MAT-POS-14f31916-5
0.522
PET-UNK-e274cad4-7
0.522
JOH-UNI-f51e3bbc-2
0.521
NAU-LAT-b7d8c353-2
0.521
ALP-POS-82da25a3-2
0.521
MAT-POS-acfe5bae-5
0.521
MAT-POS-14f31916-2
0.521
MAT-POS-8040981b-1
0.521
ALP-POS-82da25a3-1
0.521
MAT-POS-14f31916-4
0.521
NAU-LAT-b7d8c353-5
0.521
JOH-UNI-16fcdf60-1
0.517
ERI-UCB-9c7ec71b-4
0.517
ADA-UCB-dc2b944c-8
0.516
EDJ-MED-fb4b7746-2
0.516
JOH-SUS-a69c159d-3
0.516
JOH-UNI-1b27fa5e-1
0.516
EDG-MED-0e5afe9d-2
0.516
ALF-EVA-5b152d2f-2
0.516
RAL-THA-b00e3cbf-1
0.516
PET-UNK-03fd2068-1
0.516