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
PET-UNK-10c83c8b-1
BEN-DND-c852c98b-2
0.784
MAT-POS-f9802937-7
0.779
EDG-MED-5d232de5-1
0.733
ALP-POS-ce760d3f-7
0.733
ALP-POS-696356e4-1
0.733
EDG-MED-5d232de5-2
0.733
BEN-DND-c852c98b-7
0.730
EDJ-MED-ba7e64f2-1
0.713
BEN-DND-c852c98b-4
0.713
MAT-POS-8293a91a-3
0.700
ALF-EVA-5b152d2f-2
0.697
MAK-UNK-8be7dca9-7
0.689
BEN-DND-c852c98b-3
0.681
BEN-DND-c852c98b-5
0.681
ERI-UCB-8d4e5055-4
0.681
ALP-POS-82da25a3-2
0.681
PET-UNK-ee8352fa-4
0.681
BEN-DND-c852c98b-1
0.674
PET-UNK-b38839dc-4
0.670
ALF-EVA-5b152d2f-7
0.667
MAK-UNK-8be7dca9-8
0.667
RAL-THA-b9d6aec1-3
0.667
MAT-POS-f7918075-1
0.663
VLA-UCB-1dbca3b4-15
0.663
MAT-POS-b3e365b9-2
0.663
MAT-POS-b3e365b9-1
0.663
RUB-POS-1325a9ea-10
0.656
BEN-DND-4f474d93-2
0.656
ALP-POS-ce760d3f-3
0.656
RAL-THA-b9d6aec1-2
0.653
RAL-THA-b9d6aec1-1
0.653
BEN-DND-4f474d93-1
0.644
ALP-POS-ce760d3f-2
0.644
BEN-DND-4f474d93-3
0.644
PET-UNK-b38839dc-5
0.642
MAT-POS-419aafdb-2
0.639
WIL-UCB-7ba4ac3a-1
0.634
MAT-POS-419aafdb-1
0.633
PET-UNK-ee8352fa-5
0.632
ALF-EVA-5b152d2f-3
0.626
PET-UNK-f4e47ebd-3
0.625
PET-UNK-03fd2068-1
0.624
MAK-UNK-8be7dca9-4
0.620
PET-UNK-ee8352fa-6
0.615
MIC-UNK-7574fcc6-2
0.609
MAK-UNK-8be7dca9-9
0.606
ALF-EVA-5b152d2f-5
0.598
ERI-UCB-8d4e5055-2
0.596
MAT-POS-8695a11f-2
0.596
ERI-UCB-8d4e5055-5
0.594
MAT-POS-86c60949-3
0.594
ALP-POS-82da25a3-1
0.594
ALF-EVA-5b152d2f-8
0.592
PET-UNK-f4e47ebd-4
0.592
PET-UNK-b1ef24dc-7
0.591
PET-UNK-b1ef24dc-8
0.591
JOH-SUS-a69c159d-3
0.589
PET-UNK-6314f867-1
0.588
MAK-UNK-8be7dca9-5
0.588
MAT-POS-7ddaf7de-2
0.588
ERI-UCB-8d4e5055-3
0.588
PET-UNK-b38839dc-3
0.585
MAT-POS-14f31916-1
0.583
MAT-POS-d8472c4f-6
0.583
MAT-POS-14f31916-5
0.579
PET-UNK-7f7e354d-1
0.579
MAK-UNK-8be7dca9-2
0.576
MAT-POS-96f51285-3
0.576
EDJ-MED-611d11e7-9
0.576
TET-ENA-382364b7-1
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
MAT-POS-1ecf5680-2
0.564
JAG-UCB-571deb56-5
0.564
MAT-POS-1ecf5680-1
0.564
BEN-DND-a7517465-5
0.562
MAT-POS-acfe5bae-5
0.561
MAT-POS-14f31916-2
0.561
MAT-POS-8040981b-1
0.561
TET-ENA-1a76f195-1
0.560
ERI-UCB-b3e6b0c2-7
0.559
JAG-UCB-571deb56-2
0.559
ROB-UNI-6ee2df8c-1
0.558
PET-UNK-b1ef24dc-5
0.558
MAT-POS-a2421bb6-1
0.558
ALF-EVA-5b152d2f-1
0.557
MAT-POS-a2421bb6-3
0.556
JOH-UNI-1b27fa5e-5
0.552
MAK-UNK-8be7dca9-6
0.550
NAU-LAT-b7d8c353-8
0.550
MAT-POS-ee5e8e94-2
0.550
MAT-POS-acfe5bae-1
0.550
MAT-POS-afb6844f-1
0.548
JOH-UNI-1b27fa5e-7
0.548
MAT-POS-7ddaf7de-4
0.548
JAG-UCB-571deb56-4
0.548
BEN-DND-a7517465-3
0.546
PET-UNK-e274cad4-7
0.546