Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccncc12)[C@H]1CCOc2ccc(Cl)cc21 |
MW: | 339.08 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 64.11 |
cLogP: | 3.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-ce760d3f-3
1.000
BEN-DND-4f474d93-3
0.741
ALP-POS-ce760d3f-2
0.741
BEN-DND-4f474d93-1
0.741
BEN-DND-c852c98b-4
0.732
ALP-POS-ce760d3f-7
0.732
ALP-POS-696356e4-1
0.732
EDG-MED-5d232de5-1
0.732
EDG-MED-5d232de5-2
0.732
MAT-POS-b3e365b9-1
0.720
MAT-POS-b3e365b9-2
0.720
VLA-UCB-1dbca3b4-15
0.720
MAT-POS-f7918075-1
0.720
ALF-EVA-5b152d2f-2
0.694
BEN-DND-c852c98b-7
0.690
MAK-UNK-8be7dca9-7
0.686
BEN-DND-c852c98b-3
0.678
MAT-POS-f9802937-7
0.678
BEN-DND-c852c98b-5
0.678
BEN-DND-c852c98b-1
0.670
MAK-UNK-8be7dca9-8
0.663
ALF-EVA-5b152d2f-7
0.663
BEN-DND-c852c98b-6
0.656
ADA-UCB-dc2b944c-8
0.655
MAK-UNK-8be7dca9-9
0.655
BEN-DND-c852c98b-2
0.648
JAN-GHE-f4ca5a00-13
0.639
BRU-CON-c4e3408a-1
0.639
MAT-POS-b3e365b9-4
0.639
DAR-DIA-6a508060-6
0.639
MAT-POS-b3e365b9-3
0.639
ALF-EVA-5b152d2f-8
0.637
MAK-UNK-8be7dca9-5
0.633
ALF-EVA-5b152d2f-5
0.626
LON-WEI-0a73fcb8-7
0.624
ERI-UCB-9c7ec71b-2
0.624
EDJ-MED-e9694d2b-1
0.624
MAK-UNK-f481d203-1
0.624
MAK-UNK-f481d203-2
0.624
MAK-UNK-919546f0-1
0.624
ALF-EVA-5b152d2f-3
0.621
MAK-UNK-8be7dca9-2
0.620
MAK-UNK-8be7dca9-4
0.615
NAU-LAT-b7d8c353-8
0.609
MAK-UNK-8be7dca9-6
0.609
BEN-DND-a7517465-3
0.589
BEN-DND-a7517465-5
0.589
BEN-DND-a7517465-2
0.589
ALF-EVA-5b152d2f-1
0.582
JOH-SUS-a69c159d-3
0.582
BEN-DND-c852c98b-8
0.578
BEN-DND-a7517465-10
0.578
BEN-DND-a7517465-1
0.576
BEN-DND-a7517465-7
0.576
NAU-LAT-b7d8c353-5
0.570
NAU-LAT-b7d8c353-6
0.568
VLA-UCB-53bdeed6-3
0.568
JAG-UCB-52b62a6f-16
0.565
EDG-MED-0e5afe9d-2
0.565
JOH-UNI-1b27fa5e-1
0.565
EDJ-MED-fb4b7746-3
0.565
JOH-UNI-1b27fa5e-6
0.562
JOH-SUS-a69c159d-1
0.560
JOH-SUS-a69c159d-2
0.560
ADA-UCB-dc2b944c-12
0.560
JOH-SUS-a69c159d-5
0.559
MAK-UNK-8be7dca9-1
0.559
BEN-DND-a7517465-6
0.558
JOH-UNI-1b27fa5e-7
0.557
ADA-UCB-dc2b944c-11
0.554
JOH-UNI-f51e3bbc-2
0.553
EDG-MED-0e5afe9d-1
0.552
EDJ-MED-fb4b7746-4
0.552
ALF-EVA-5b152d2f-4
0.548
JOH-SUS-a69c159d-4
0.548
EDJ-MED-fb4b7746-2
0.548
JAG-UCB-c61058a9-11
0.544
JOH-UNI-1b27fa5e-5
0.543
MAT-POS-11b63608-1
0.543
BEN-DND-a7517465-8
0.543
BEN-DND-c852c98b-10
0.543
RAL-THA-3d7a794f-4
0.540
JAG-UCB-c61058a9-7
0.539
NAU-LAT-b7d8c353-2
0.537
JAG-UCB-c61058a9-6
0.534
ADA-UCB-dc2b944c-7
0.533
RAL-THA-05e671eb-4
0.533
JAG-UCB-52b62a6f-13
0.532
MAT-POS-2bb0cf2b-2
0.531
BEN-DND-a7517465-11
0.531
EDJ-MED-fb4b7746-1
0.531
NAU-LAT-8502cac5-11
0.528
ADA-UCB-dc2b944c-5
0.527
RAL-THA-05e671eb-5
0.527
ADA-UCB-dc2b944c-10
0.526
ADA-UCB-dc2b944c-9
0.526
JOH-UNI-f51e3bbc-3
0.526
RAL-THA-05e671eb-8
0.526
JOH-UNI-f51e3bbc-4
0.526
JAG-UCB-c61058a9-9
0.522