Molecular Properties | |
SMILES: | O=C(Nc1cncn1-c1ccccn1)[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 |
dyes5A(27)
RAL-THA-9041a04d-2
0.776
RAL-THA-9041a04d-7
0.756
RAL-THA-9041a04d-6
0.729
RAL-THA-04c5403f-1
0.690
MAT-POS-a54ce14d-1
0.674
RAL-THA-9041a04d-4
0.674
RAL-THA-9041a04d-5
0.670
RAL-THA-9041a04d-3
0.644
RAL-THA-3d7a794f-4
0.616
PET-UNK-3e029fdc-1
0.596
RAL-THA-3d7a794f-1
0.596
RAL-THA-3d7a794f-2
0.582
RAL-THA-3d7a794f-3
0.582
BEN-DND-02317c5c-3
0.553
MAT-POS-51833a24-1
0.553
EDJ-MED-51d3200d-1
0.546
EDJ-MED-51d3200d-3
0.537
JAG-UCB-c61058a9-22
0.527
MAT-POS-51833a24-3
0.526
MAT-POS-51833a24-4
0.525
PET-UNK-158bee2a-7
0.516
EDJ-MED-51d3200d-4
0.516
MAT-POS-b5c94171-1
0.511
NAU-LAT-8502cac5-14
0.510
MAT-POS-a3f7f96a-2
0.505
EDJ-MED-e9694d2b-1
0.505
ERI-UCB-9c7ec71b-2
0.505
MAT-POS-51833a24-5
0.505
MAT-POS-b3e365b9-4
0.500
NAU-LAT-8502cac5-11
0.500
DAR-DIA-6a508060-6
0.500
EDJ-MED-51d3200d-2
0.500
NAU-LAT-8502cac5-15
0.500
MAT-POS-51833a24-2
0.500
BEN-DND-a7517465-7
0.500
BRU-CON-c4e3408a-1
0.500
JAN-GHE-f4ca5a00-13
0.500
JAG-UCB-c61058a9-41
0.500
MAT-POS-b3e365b9-3
0.500
MAT-UCB-70f7c0f7-6
0.495
RAL-THA-04c5403f-2
0.495
MAT-POS-a2421bb6-4
0.495
JOH-UNI-1b27fa5e-7
0.495
RAL-THA-b74298ba-1
0.495
EDJ-MED-fb4b7746-1
0.490
MAT-POS-2bb0cf2b-2
0.490
VLA-UCB-1dbca3b4-15
0.490
JAN-GHE-f4ca5a00-1
0.490
MAT-POS-f7918075-1
0.490
MAT-POS-b3e365b9-2
0.490
MAT-POS-b3e365b9-1
0.490
VLA-UNK-0ffe3317-7
0.490
MAK-UNK-f481d203-2
0.490
PET-UNK-158bee2a-5
0.490
MAT-POS-1f3c8e6f-1
0.490
LON-WEI-0a73fcb8-7
0.490
MAK-UNK-919546f0-1
0.490
MAK-UNK-f481d203-1
0.490
MAT-POS-51833a24-6
0.485
PET-UNK-e274cad4-2
0.485
JOH-SUS-a69c159d-1
0.485
JOH-SUS-a69c159d-2
0.485
ADA-UCB-dc2b944c-12
0.485
JOH-UNI-1b27fa5e-6
0.485
MAT-POS-500f4700-1
0.485
RAL-THA-b74298ba-2
0.485
NAU-LAT-8502cac5-16
0.484
JAG-UCB-c61058a9-21
0.484
RAL-THA-b74298ba-3
0.484
JAG-UCB-a3ef7265-20
0.484
JAG-UCB-119787ef-1
0.484
EDG-MED-fe7487f8-9
0.484
MAT-POS-968e8d9c-1
0.484
NAU-LAT-b7d8c353-5
0.480
JAG-UCB-52b62a6f-7
0.480
PET-UNK-e274cad4-7
0.480
ADA-UCB-dc2b944c-11
0.480
JAG-UCB-52b62a6f-6
0.480
VLA-UNK-0ffe3317-1
0.480
ALP-POS-b3e0acc5-2
0.480
MAT-POS-afb6844f-1
0.479
MAT-POS-8293a91a-1
0.479
TAT-ENA-0e28ea53-1
0.479
MAT-POS-7ddaf7de-4
0.479
NAU-LAT-8502cac5-10
0.479
EDJ-MED-e18764cb-1
0.476
MAT-POS-af1eef35-1
0.476
JOH-SUS-a69c159d-3
0.475
JOH-SUS-a69c159d-4
0.475
JOH-UNI-1b27fa5e-1
0.475
JAG-UCB-c61058a9-32
0.475
RAL-THA-b00e3cbf-1
0.475
JAG-UCB-52b62a6f-3
0.475
ADA-UCB-dc2b944c-8
0.475
RAL-THA-b74298ba-4
0.475
BEN-DND-4f474d93-3
0.475
ALP-POS-ce760d3f-2
0.475
BEN-DND-4f474d93-1
0.475
MAT-POS-afb6844f-4
0.475
MAT-POS-afb6844f-3
0.475