Molecular Properties | |
SMILES: | O=C(Nc1cncn1-c1ccncc1)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 354.09 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-06-25 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
RAL-THA-04c5403f-1
0.821
RAL-THA-9041a04d-4
0.800
MAT-POS-a54ce14d-1
0.800
RAL-THA-9041a04d-3
0.765
RAL-THA-9041a04d-6
0.732
RAL-THA-9041a04d-2
0.698
RAL-THA-9041a04d-7
0.678
RAL-THA-9041a04d-1
0.670
RAL-THA-3d7a794f-4
0.654
PET-UNK-3e029fdc-1
0.631
RAL-THA-3d7a794f-1
0.631
RAL-THA-3d7a794f-3
0.616
RAL-THA-3d7a794f-2
0.616
ERI-UCB-9c7ec71b-2
0.586
EDJ-MED-e9694d2b-1
0.586
JAG-UCB-c61058a9-22
0.557
EDJ-MED-51d3200d-3
0.549
MAT-POS-b3e365b9-3
0.545
DAR-DIA-6a508060-6
0.545
MAT-POS-b3e365b9-4
0.545
JAN-GHE-f4ca5a00-13
0.545
BRU-CON-c4e3408a-1
0.545
EDJ-MED-51d3200d-4
0.544
EDJ-MED-51d3200d-1
0.543
MAT-POS-a3f7f96a-2
0.534
MAK-UNK-f481d203-1
0.533
LON-WEI-0a73fcb8-7
0.533
MAK-UNK-f481d203-2
0.533
MAK-UNK-919546f0-1
0.533
BEN-DND-02317c5c-3
0.533
MAT-POS-51833a24-1
0.533
PET-UNK-158bee2a-7
0.529
RAL-THA-b74298ba-1
0.523
NAU-LAT-8502cac5-14
0.521
MAT-UCB-70f7c0f7-6
0.521
RAL-THA-04c5403f-2
0.521
MAT-POS-51833a24-3
0.521
MAT-POS-51833a24-4
0.521
JOH-UNI-d0d90dc1-3
0.516
BEN-DND-4f474d93-1
0.516
BEN-DND-4f474d93-3
0.516
ALP-POS-ce760d3f-2
0.516
MAT-POS-51833a24-5
0.516
JAG-UCB-a3ef7265-20
0.511
JAG-UCB-119787ef-1
0.511
NAU-LAT-8502cac5-15
0.511
MAT-POS-968e8d9c-1
0.511
EDG-MED-fe7487f8-9
0.511
JAG-UCB-c61058a9-41
0.511
NAU-LAT-8502cac5-11
0.511
RAL-THA-b74298ba-3
0.511
JAG-UCB-c61058a9-21
0.511
JAG-UCB-c61058a9-2
0.511
BEN-DND-4f474d93-2
0.511
ALP-POS-ce760d3f-3
0.511
BEN-DND-a7517465-7
0.510
EDJ-MED-51d3200d-2
0.510
MAT-POS-51833a24-2
0.510
NAU-LAT-8502cac5-10
0.506
MAT-POS-b5c94171-1
0.505
JOH-UNI-1b27fa5e-7
0.505
MAT-POS-afb6844f-1
0.505
TAT-ENA-0e28ea53-1
0.505
MAT-POS-7ddaf7de-4
0.505
ALP-POS-b3e0acc5-2
0.505
MAT-POS-a2421bb6-4
0.505
PET-UNK-7f7e354d-1
0.505
NAU-LAT-b7d8c353-5
0.505
EDJ-MED-e18764cb-1
0.500
VLA-UNK-0ffe3317-7
0.500
JAN-GHE-f4ca5a00-21
0.500
JAG-UCB-52b62a6f-16
0.500
NAU-LAT-b7d8c353-1
0.500
JAG-UCB-c61058a9-6
0.500
ERI-UCB-9c7ec71b-4
0.500
VLA-UCB-53bdeed6-3
0.500
MAT-POS-afb6844f-3
0.500
JAG-UCB-c61058a9-32
0.500
MAT-POS-af1eef35-1
0.500
MAT-POS-afb6844f-4
0.500
PET-UNK-b1ef24dc-7
0.500
PET-UNK-b1ef24dc-5
0.500
EDG-MED-fe7487f8-8
0.500
PET-UNK-158bee2a-5
0.500
MIC-UNK-7574fcc6-2
0.500
MAT-POS-51833a24-6
0.495
PET-UNK-e274cad4-2
0.495
PET-UNK-b38839dc-3
0.495
JOH-UNI-1b27fa5e-6
0.495
MAT-POS-500f4700-1
0.495
MAT-POS-afb6844f-2
0.495
RAL-THA-b74298ba-2
0.495
NAU-LAT-b7d8c353-7
0.495
NAU-LAT-8502cac5-16
0.495
EDJ-MED-fb4b7746-4
0.490
NAU-LAT-b7d8c353-6
0.490
EDG-MED-0e5afe9d-1
0.490
MIC-UNK-b904ca85-2
0.490
MAT-POS-14f31916-5
0.490
MAT-POS-afb6844f-5
0.490