Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(OC(F)F)cc12)C1CCOc2ccc(Cl)cc21 |
MW: | 404.07 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 60.45 |
cLogP: | 4.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-b3e365b9-1
BEN-DND-c852c98b-2
0.784
MAT-POS-f9802937-7
0.779
EDG-MED-5d232de5-1
0.733
ALP-POS-696356e4-1
0.733
ALP-POS-ce760d3f-7
0.733
EDG-MED-5d232de5-2
0.733
BEN-DND-c852c98b-7
0.730
BEN-DND-c852c98b-4
0.713
ALF-EVA-5b152d2f-2
0.697
MAK-UNK-8be7dca9-7
0.689
BEN-DND-c852c98b-3
0.681
BEN-DND-c852c98b-5
0.681
BEN-DND-c852c98b-1
0.674
MAK-UNK-8be7dca9-8
0.667
ALF-EVA-5b152d2f-7
0.667
MAT-POS-b3e365b9-2
0.663
MAT-POS-b3e365b9-1
0.663
MAT-POS-f7918075-1
0.663
VLA-UCB-1dbca3b4-15
0.663
BEN-DND-4f474d93-2
0.656
ALP-POS-ce760d3f-3
0.656
BEN-DND-4f474d93-3
0.644
ALP-POS-ce760d3f-2
0.644
BEN-DND-4f474d93-1
0.644
WIL-UCB-7ba4ac3a-1
0.634
ALF-EVA-5b152d2f-3
0.626
MAK-UNK-8be7dca9-4
0.620
MAK-UNK-8be7dca9-9
0.606
ALF-EVA-5b152d2f-5
0.598
ALF-EVA-5b152d2f-8
0.592
JOH-SUS-a69c159d-3
0.589
MAK-UNK-8be7dca9-5
0.588
MAK-UNK-8be7dca9-2
0.576
EDJ-MED-611d11e7-9
0.576
ADA-UCB-dc2b944c-8
0.573
ALF-EVA-ced740bd-1
0.571
JOH-UNI-1b27fa5e-6
0.570
ALF-EVA-ced740bd-2
0.566
BEN-DND-a7517465-5
0.562
ERI-UCB-b3e6b0c2-7
0.559
ALF-EVA-5b152d2f-1
0.557
JOH-UNI-1b27fa5e-5
0.552
MAK-UNK-8be7dca9-6
0.550
NAU-LAT-b7d8c353-8
0.550
JOH-UNI-1b27fa5e-7
0.548
BEN-DND-a7517465-2
0.546
BEN-DND-a7517465-3
0.546
EDJ-MED-611d11e7-6
0.541
DAR-DIA-6a508060-6
0.538
MAT-POS-b3e365b9-3
0.538
MAT-POS-b3e365b9-4
0.538
BRU-CON-c4e3408a-1
0.538
JAN-GHE-f4ca5a00-13
0.538
MAR-UCB-6ab2ec87-5
0.537
JOH-SUS-a69c159d-2
0.536
JOH-SUS-a69c159d-5
0.535
BEN-DND-a7517465-1
0.535
BEN-DND-a7517465-6
0.535
EDG-MED-0e5afe9d-1
0.529
EDJ-MED-fb4b7746-4
0.529
MAK-UNK-f481d203-2
0.526
EDJ-MED-e9694d2b-1
0.526
ERI-UCB-9c7ec71b-2
0.526
MAK-UNK-f481d203-1
0.526
MAK-UNK-919546f0-1
0.526
LON-WEI-0a73fcb8-7
0.526
JOH-SUS-a69c159d-4
0.525
MAK-UNK-8be7dca9-1
0.523
ADA-UCB-dc2b944c-12
0.520
JOH-SUS-a69c159d-1
0.520
BEN-DND-c852c98b-8
0.520
BEN-DND-a7517465-10
0.520
RAL-THA-05e671eb-8
0.520
JAG-UCB-c61058a9-7
0.516
ADA-UCB-dc2b944c-11
0.515
JOH-UNI-f51e3bbc-2
0.515
ADA-UCB-dc2b944c-7
0.510
RAL-THA-05e671eb-4
0.510
DAR-DIA-6a508060-8
0.510
JAG-UCB-52b62a6f-13
0.510
JOH-UNI-1b27fa5e-1
0.510
EDJ-MED-fb4b7746-3
0.510
EDG-MED-0e5afe9d-2
0.510
EDJ-MED-fb4b7746-2
0.510
ALF-EVA-5b152d2f-4
0.510
BEN-DND-a7517465-11
0.510
JAG-UCB-c61058a9-11
0.505
DAR-DIA-6a508060-2
0.505
MAT-POS-11b63608-1
0.505
BEN-DND-c852c98b-10
0.505
BEN-DND-a7517465-7
0.505
RAL-THA-05e671eb-6
0.505
BEN-DND-a7517465-8
0.505
NAU-LAT-b7d8c353-6
0.500
EDJ-MED-611d11e7-3
0.500
RAL-THA-3d7a794f-4
0.500
NAU-LAT-b7d8c353-2
0.500
EDJ-MED-fb4b7746-1
0.495
MAT-POS-2bb0cf2b-2
0.495
DAR-DIA-6a508060-3
0.495