Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(C(F)F)cc12)C1CCOc2ccc(Cl)cc21 |
MW: | 388.08 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 51.22 |
cLogP: | 5.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-b3e365b9-1
BEN-DND-c852c98b-4
0.750
EDG-MED-5d232de5-1
0.750
ALP-POS-696356e4-1
0.750
ALP-POS-ce760d3f-7
0.750
EDG-MED-5d232de5-2
0.750
BEN-DND-c852c98b-6
0.730
MAK-UNK-8be7dca9-7
0.724
BEN-DND-c852c98b-3
0.716
ALF-EVA-5b152d2f-2
0.713
BEN-DND-c852c98b-2
0.703
BEN-DND-c852c98b-5
0.697
MAT-POS-f9802937-7
0.697
BEN-DND-4f474d93-2
0.690
ALP-POS-ce760d3f-3
0.690
BEN-DND-c852c98b-1
0.689
ALF-EVA-5b152d2f-7
0.681
MAK-UNK-8be7dca9-8
0.681
MAT-POS-b3e365b9-2
0.678
MAT-POS-b3e365b9-1
0.678
VLA-UCB-1dbca3b4-15
0.678
MAT-POS-f7918075-1
0.678
WIL-UCB-7ba4ac3a-1
0.648
BEN-DND-4f474d93-3
0.640
ALP-POS-ce760d3f-2
0.640
BEN-DND-4f474d93-1
0.640
ALF-EVA-5b152d2f-3
0.640
MAK-UNK-8be7dca9-9
0.637
MAK-UNK-8be7dca9-4
0.633
ALF-EVA-5b152d2f-8
0.604
JOH-SUS-a69c159d-3
0.602
MAK-UNK-8be7dca9-5
0.600
ALF-EVA-5b152d2f-5
0.594
MAK-UNK-8be7dca9-2
0.588
ADA-UCB-dc2b944c-8
0.585
JOH-UNI-1b27fa5e-6
0.582
JOH-UNI-1b27fa5e-7
0.578
BEN-DND-a7517465-5
0.574
ALF-EVA-5b152d2f-1
0.568
ALF-EVA-ced740bd-1
0.567
JOH-UNI-1b27fa5e-5
0.564
MAK-UNK-8be7dca9-6
0.561
NAU-LAT-b7d8c353-8
0.561
BEN-DND-a7517465-3
0.558
BEN-DND-a7517465-2
0.558
JOH-SUS-a69c159d-4
0.552
EDJ-MED-611d11e7-6
0.552
JAN-GHE-f4ca5a00-13
0.549
MAT-POS-b3e365b9-3
0.549
BRU-CON-c4e3408a-1
0.549
MAT-POS-b3e365b9-4
0.549
DAR-DIA-6a508060-6
0.549
MAR-UCB-6ab2ec87-5
0.548
JOH-SUS-a69c159d-2
0.547
JOH-SUS-a69c159d-5
0.546
BEN-DND-a7517465-1
0.546
ALF-EVA-ced740bd-2
0.545
MAK-UNK-f481d203-1
0.538
EDJ-MED-e9694d2b-1
0.538
ERI-UCB-9c7ec71b-2
0.538
MAK-UNK-919546f0-1
0.538
LON-WEI-0a73fcb8-7
0.538
MAK-UNK-f481d203-2
0.538
MAK-UNK-8be7dca9-1
0.533
JOH-SUS-a69c159d-1
0.531
BEN-DND-c852c98b-8
0.531
BEN-DND-a7517465-10
0.531
ADA-UCB-dc2b944c-12
0.531
RAL-THA-05e671eb-6
0.531
BEN-DND-a7517465-6
0.530
ADA-UCB-dc2b944c-11
0.526
EDG-MED-0e5afe9d-1
0.525
EDJ-MED-fb4b7746-4
0.525
RAL-THA-05e671eb-4
0.521
ADA-UCB-dc2b944c-7
0.521
JOH-UNI-1b27fa5e-1
0.520
EDJ-MED-fb4b7746-3
0.520
EDG-MED-0e5afe9d-2
0.520
EDJ-MED-fb4b7746-2
0.520
ALF-EVA-5b152d2f-4
0.520
BEN-DND-a7517465-11
0.520
NAU-LAT-8502cac5-16
0.516
MAT-POS-11b63608-1
0.515
BEN-DND-c852c98b-10
0.515
BEN-DND-a7517465-7
0.515
BEN-DND-a7517465-8
0.515
RAL-THA-05e671eb-8
0.515
RAL-THA-3d7a794f-4
0.511
JAG-UCB-c61058a9-7
0.511
JOH-UNI-f51e3bbc-2
0.510
NAU-LAT-b7d8c353-5
0.510
NAU-LAT-b7d8c353-2
0.510
EDJ-MED-611d11e7-3
0.510
EDJ-MED-611d11e7-9
0.510
JAG-UCB-c61058a9-6
0.505
VLA-UCB-53bdeed6-3
0.505
JOH-SUS-a69c159d-6
0.505
JOH-UNI-1b27fa5e-3
0.505
JOH-UNI-1b27fa5e-2
0.505
ERI-UCB-b3e6b0c2-1
0.505
JAG-UCB-52b62a6f-13
0.505