Molecular Properties | |
SMILES: | O=C(Nc1cnnn1C1CC1)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 318.09 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 2.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-06-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
JAG-UCB-c61058a9-20
0.737
JAG-UCB-c61058a9-27
0.720
RAL-THA-3d7a794f-1
0.630
PET-UNK-3e029fdc-1
0.630
RAL-THA-3d7a794f-4
0.613
JAG-UCB-a3ef7265-20
0.598
MAT-POS-968e8d9c-1
0.598
JAG-UCB-119787ef-1
0.598
RAL-THA-3d7a794f-3
0.576
RAL-THA-3d7a794f-2
0.576
JAG-UCB-c61058a9-44
0.565
ERI-UCB-9c7ec71b-4
0.565
BEN-DND-02317c5c-3
0.563
MAT-POS-51833a24-1
0.563
ROB-UNI-569bc02e-7
0.562
PET-UNK-158bee2a-7
0.561
NAU-LAT-8502cac5-15
0.560
NAU-LAT-8502cac5-11
0.560
RAL-THA-04c5403f-1
0.557
RAL-THA-9041a04d-5
0.557
RAL-THA-9041a04d-6
0.557
RAL-THA-b74298ba-1
0.554
MAT-POS-afb6844f-1
0.553
MAT-POS-7ddaf7de-4
0.553
MAT-POS-a2421bb6-4
0.552
RAL-THA-9041a04d-3
0.551
MAT-POS-51833a24-3
0.551
NAU-LAT-8502cac5-14
0.551
EDG-MED-fe7487f8-8
0.547
MAK-UNK-919546f0-1
0.547
MAK-UNK-f481d203-1
0.547
MAK-UNK-f481d203-2
0.547
EDJ-MED-51d3200d-3
0.545
RAL-THA-9041a04d-4
0.544
MAT-POS-a54ce14d-1
0.544
MAT-POS-51833a24-5
0.544
DAR-DIA-6a508060-6
0.541
JAN-GHE-f4ca5a00-13
0.541
BRU-CON-c4e3408a-1
0.541
RAL-THA-b74298ba-3
0.541
JAG-UCB-c61058a9-21
0.541
JAG-UCB-c61058a9-29
0.541
MAT-POS-b3e365b9-3
0.541
MAT-POS-b3e365b9-4
0.541
EDG-MED-fe7487f8-9
0.541
MAT-POS-afb6844f-2
0.540
EDJ-MED-51d3200d-4
0.540
PET-UNK-b38839dc-3
0.539
MAT-POS-51833a24-2
0.538
JAG-UCB-c61058a9-28
0.536
NAU-LAT-8502cac5-10
0.536
JAG-UCB-c61058a9-7
0.535
MAT-POS-8293a91a-1
0.535
JOH-UNI-1b27fa5e-7
0.535
MAT-POS-b5c94171-1
0.535
MAT-POS-51833a24-4
0.533
RAL-THA-9041a04d-2
0.533
RAL-THA-9041a04d-7
0.533
JAG-UCB-c61058a9-6
0.529
MAT-POS-a3f7f96a-2
0.529
ERI-UCB-9c7ec71b-2
0.529
EDJ-MED-e9694d2b-1
0.529
VLA-UCB-53bdeed6-3
0.529
JAN-GHE-f4ca5a00-23
0.529
MAT-POS-1f3c8e6f-1
0.529
JOH-UNI-d0d90dc1-3
0.529
LON-WEI-0a73fcb8-7
0.529
NAU-LAT-b7d8c353-1
0.529
ERI-UCB-a38d41be-1
0.528
MAT-POS-afb6844f-3
0.528
MAT-POS-afb6844f-4
0.528
ADA-UCB-b1b30a00-7
0.527
ROB-UNI-569bc02e-1
0.527
JOH-UNI-1b27fa5e-1
0.527
RAL-THA-9041a04d-1
0.527
NAU-LAT-8502cac5-16
0.523
JAG-UCB-c61058a9-41
0.523
JOH-UNI-1b27fa5e-6
0.523
JAG-UCB-c61058a9-11
0.523
RAL-THA-b74298ba-2
0.523
MAT-POS-500f4700-1
0.523
JOH-SUS-a69c159d-2
0.522
MAT-POS-51833a24-6
0.521
JAG-UCB-c61058a9-9
0.517
TAT-ENA-0e28ea53-1
0.517
ALP-POS-b3e0acc5-2
0.517
PET-UNK-e274cad4-7
0.516
MAT-POS-afb6844f-5
0.516
PET-UNK-b1ef24dc-6
0.516
JOH-UNI-16fcdf60-1
0.512
RAL-THA-b74298ba-4
0.511
BEN-DND-4f474d93-3
0.511
ALP-POS-ce760d3f-2
0.511
PET-UNK-b1ef24dc-7
0.511
PET-UNK-b1ef24dc-8
0.511
MAT-POS-a2421bb6-1
0.511
MIC-UNK-7574fcc6-2
0.511
BEN-DND-4f474d93-1
0.511
PET-UNK-b1ef24dc-5
0.511
MAT-POS-f7918075-1
0.511