Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(F)ccc12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 356.07 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-ce760d3f-7
0.756
ALP-POS-696356e4-1
0.756
EDG-MED-5d232de5-1
0.756
EDG-MED-5d232de5-2
0.756
PET-UNK-03fd2068-2
0.741
MAK-UNK-8be7dca9-9
0.738
PET-UNK-6314f867-1
0.733
ALF-EVA-5b152d2f-5
0.724
MAT-POS-b3e365b9-1
0.723
MAT-POS-b3e365b9-2
0.723
MAT-POS-f7918075-1
0.723
VLA-UCB-1dbca3b4-15
0.723
ALP-POS-82da25a3-1
0.721
MAK-UNK-8be7dca9-2
0.716
MAK-UNK-8be7dca9-5
0.713
ERI-UCB-8d4e5055-3
0.713
MAT-POS-7ddaf7de-2
0.713
ALP-POS-ce760d3f-2
0.702
BEN-DND-4f474d93-1
0.702
BEN-DND-4f474d93-3
0.702
MAT-POS-1ecf5680-2
0.700
ALF-EVA-5b152d2f-8
0.697
TET-ENA-382364b7-1
0.697
WIL-UCB-7ba4ac3a-1
0.690
PET-UNK-ee8352fa-5
0.685
MIC-UNK-7574fcc6-2
0.682
JAG-UCB-571deb56-5
0.681
MAT-POS-1ecf5680-1
0.681
JAG-UCB-571deb56-2
0.674
JOH-SUS-a69c159d-5
0.670
PET-UNK-b38839dc-4
0.670
JAG-UCB-571deb56-4
0.660
PET-UNK-f4e47ebd-4
0.659
ALF-EVA-5b152d2f-2
0.659
RUB-POS-1325a9ea-10
0.656
EDJ-MED-ba7e64f2-1
0.655
BEN-DND-4f474d93-2
0.655
BEN-DND-c852c98b-4
0.655
ALP-POS-ce760d3f-3
0.655
JAG-UCB-571deb56-1
0.646
MAT-POS-8293a91a-3
0.644
PET-UNK-b1ef24dc-8
0.644
MAK-UNK-8be7dca9-1
0.643
ERI-UCB-8d4e5055-1
0.643
PET-UNK-b38839dc-5
0.641
JAG-UCB-571deb56-6
0.639
BEN-DND-c852c98b-7
0.637
MAK-UNK-8be7dca9-7
0.633
MAK-UNK-8be7dca9-8
0.630
PET-UNK-ee8352fa-6
0.630
MAT-POS-14f31916-5
0.629
PET-UNK-7f7e354d-1
0.629
BEN-DND-c852c98b-3
0.626
MAT-POS-f9802937-7
0.626
PET-UNK-ee8352fa-4
0.626
ERI-UCB-8d4e5055-4
0.626
EDJ-MED-b7309adf-1
0.626
PET-UNK-2c6614b6-5
0.626
ALP-POS-82da25a3-2
0.626
MAT-POS-86c60949-1
0.626
BEN-DND-c852c98b-5
0.626
PET-UNK-b1ef24dc-7
0.625
ERI-UCB-8d4e5055-6
0.624
MAT-POS-7ddaf7de-3
0.624
BEN-DND-c852c98b-6
0.624
BEN-DND-c852c98b-1
0.620
PET-UNK-b38839dc-3
0.618
BEN-DND-c852c98b-2
0.617
MAT-POS-d8472c4f-6
0.615
MAT-POS-14f31916-1
0.615
JAG-UCB-571deb56-3
0.614
JAG-UCB-571deb56-7
0.614
MAT-POS-7ddaf7de-1
0.614
ALF-EVA-5b152d2f-7
0.613
RAL-THA-b9d6aec1-3
0.613
BEN-DND-a7517465-5
0.611
MAT-POS-14f31916-2
0.609
MAT-POS-8040981b-1
0.609
MAT-POS-acfe5bae-5
0.609
ADA-UCB-dc2b944c-7
0.607
RAL-THA-05e671eb-4
0.607
PET-UNK-f4e47ebd-3
0.606
TET-ENA-1a76f195-1
0.606
ADA-UCB-dc2b944c-8
0.604
MAT-POS-419aafdb-2
0.604
ALF-EVA-ced740bd-1
0.602
MAT-POS-a2421bb6-3
0.602
RAL-THA-b9d6aec1-1
0.600
JOH-SUS-a69c159d-2
0.600
RAL-THA-b9d6aec1-2
0.600
MAT-POS-ee5e8e94-2
0.596
MAT-POS-acfe5bae-1
0.596
NAU-LAT-b7d8c353-8
0.596
MAK-UNK-8be7dca9-6
0.596
PET-UNK-b1ef24dc-6
0.593
MAT-POS-14f31916-3
0.589
MAT-POS-ee5e8e94-1
0.589
PET-UNK-b1ef24dc-5
0.589
JOH-SUS-a69c159d-3
0.587
ALF-EVA-5b152d2f-1
0.587