Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(C3CCC3)cc12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 392.13 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 51.22 |
cLogP: | 5.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-b3e365b9-1
ALF-EVA-5b152d2f-5
0.750
ALP-POS-ce760d3f-7
0.721
EDG-MED-5d232de5-1
0.721
EDG-MED-5d232de5-2
0.721
ALP-POS-696356e4-1
0.721
BEN-DND-c852c98b-4
0.721
ALF-EVA-5b152d2f-2
0.705
MAK-UNK-8be7dca9-7
0.697
MAT-POS-f9802937-7
0.689
BEN-DND-c852c98b-5
0.689
BEN-DND-c852c98b-3
0.689
BEN-DND-c852c98b-1
0.681
BEN-DND-c852c98b-7
0.681
MAK-UNK-8be7dca9-8
0.674
MAT-POS-f7918075-1
0.670
VLA-UCB-1dbca3b4-15
0.670
MAT-POS-b3e365b9-1
0.670
MAT-POS-b3e365b9-2
0.670
BEN-DND-c852c98b-6
0.667
ALP-POS-ce760d3f-3
0.663
BEN-DND-4f474d93-2
0.663
MAK-UNK-8be7dca9-4
0.660
BEN-DND-c852c98b-2
0.660
ALF-EVA-5b152d2f-3
0.652
WIL-UCB-7ba4ac3a-1
0.641
ALP-POS-ce760d3f-2
0.633
BEN-DND-4f474d93-3
0.633
BEN-DND-4f474d93-1
0.633
MAK-UNK-8be7dca9-9
0.613
ALF-EVA-5b152d2f-8
0.598
MAK-UNK-8be7dca9-5
0.594
MAK-UNK-8be7dca9-2
0.582
ALF-EVA-5b152d2f-1
0.579
ADA-UCB-dc2b944c-8
0.579
BEN-DND-a7517465-3
0.568
DAR-DIA-6a508060-8
0.562
ALF-EVA-ced740bd-1
0.561
JAG-UCB-c61058a9-11
0.559
ALF-EVA-ced740bd-2
0.556
NAU-LAT-b7d8c353-8
0.556
MAK-UNK-8be7dca9-6
0.556
JAG-UCB-c61058a9-9
0.554
BEN-DND-a7517465-5
0.552
BEN-DND-a7517465-2
0.552
ERI-UCB-9c7ec71b-2
0.548
EDJ-MED-e9694d2b-1
0.548
MAT-POS-b3e365b9-3
0.543
MAT-POS-b3e365b9-4
0.543
BRU-CON-c4e3408a-1
0.543
DAR-DIA-6a508060-6
0.543
JAN-GHE-f4ca5a00-13
0.543
MAK-UNK-8be7dca9-1
0.542
BEN-DND-a7517465-1
0.541
LON-WEI-0a73fcb8-7
0.532
MAK-UNK-919546f0-1
0.532
MAK-UNK-f481d203-2
0.532
MAK-UNK-f481d203-1
0.532
JOH-SUS-a69c159d-3
0.531
EDJ-MED-611d11e7-6
0.531
ALF-EVA-5b152d2f-4
0.531
EDJ-MED-fb4b7746-2
0.531
BEN-DND-a7517465-11
0.530
MAR-UCB-6ab2ec87-5
0.526
MAT-POS-11b63608-1
0.526
BEN-DND-a7517465-10
0.526
ADA-UCB-dc2b944c-12
0.526
JOH-SUS-a69c159d-1
0.526
JOH-SUS-a69c159d-2
0.526
BEN-DND-c852c98b-8
0.526
JOH-SUS-a69c159d-5
0.525
BEN-DND-a7517465-6
0.525
RAL-THA-3d7a794f-4
0.522
JAG-UCB-c61058a9-7
0.521
ADA-UCB-dc2b944c-11
0.520
EDG-MED-0e5afe9d-1
0.520
NAU-LAT-b7d8c353-6
0.520
EDJ-MED-fb4b7746-4
0.520
JAG-UCB-c61058a9-6
0.516
VLA-UCB-53bdeed6-3
0.516
JOH-SUS-a69c159d-4
0.515
JOH-UNI-1b27fa5e-1
0.515
EDG-MED-0e5afe9d-2
0.515
EDJ-MED-fb4b7746-3
0.515
JOH-UNI-1b27fa5e-6
0.510
BEN-DND-a7517465-8
0.510
BEN-DND-a7517465-7
0.510
BEN-DND-c852c98b-10
0.510
JOH-UNI-1b27fa5e-7
0.505
JOH-UNI-f51e3bbc-2
0.505
NAU-LAT-b7d8c353-2
0.505
ERI-UCB-b3e6b0c2-7
0.505
ERI-UCB-b3e6b0c2-1
0.500
RAL-THA-05e671eb-4
0.500
MAT-POS-2bb0cf2b-2
0.500
JAG-UCB-52b62a6f-13
0.500
ADA-UCB-dc2b944c-7
0.500
JOH-UNI-1b27fa5e-2
0.500
EDJ-MED-fb4b7746-1
0.500
ALP-POS-ce760d3f-4
0.495
RAL-THA-05e671eb-6
0.495