Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(F)cc(F)c12)C1CCOc2ccc(Cl)cc21 |
MW: | 374.06 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-a7517465-5
0.732
ALP-POS-696356e4-1
0.699
EDG-MED-5d232de5-1
0.699
EDG-MED-5d232de5-2
0.699
ALP-POS-ce760d3f-7
0.699
PET-UNK-03fd2068-1
0.682
BEN-DND-a7517465-2
0.671
BEN-DND-a7517465-3
0.671
ALF-EVA-ced740bd-1
0.659
BEN-DND-a7517465-1
0.655
ALF-EVA-ced740bd-2
0.652
ALF-EVA-5b152d2f-2
0.644
BEN-DND-c852c98b-4
0.640
EDJ-MED-ba7e64f2-1
0.640
PET-UNK-ee8352fa-5
0.633
BEN-DND-a7517465-6
0.633
MAT-POS-8293a91a-3
0.629
PET-UNK-ee8352fa-4
0.629
MAT-POS-b3e365b9-1
0.628
MAT-POS-b3e365b9-2
0.628
VLA-UCB-1dbca3b4-15
0.628
BEN-DND-4f474d93-3
0.628
MAT-POS-f7918075-1
0.628
BEN-DND-4f474d93-1
0.628
ALP-POS-ce760d3f-2
0.628
MAK-UNK-8be7dca9-5
0.622
BEN-DND-c852c98b-7
0.622
BEN-DND-4f474d93-2
0.621
ALP-POS-ce760d3f-3
0.621
PET-UNK-b38839dc-4
0.620
MAK-UNK-8be7dca9-7
0.618
WIL-UCB-7ba4ac3a-1
0.618
PET-UNK-e274cad4-7
0.614
MAT-POS-f9802937-7
0.611
BEN-DND-c852c98b-5
0.611
ERI-UCB-8d4e5055-4
0.611
BEN-DND-c852c98b-3
0.611
ALP-POS-82da25a3-1
0.611
ALP-POS-82da25a3-2
0.611
PET-UNK-b1ef24dc-5
0.609
BEN-DND-c852c98b-6
0.609
MAK-UNK-8be7dca9-9
0.607
BEN-DND-c852c98b-1
0.604
RUB-POS-1325a9ea-10
0.604
RAL-THA-b9d6aec1-1
0.602
BEN-DND-c852c98b-2
0.602
MAT-POS-7ddaf7de-4
0.600
MAT-POS-afb6844f-1
0.600
MAK-UNK-8be7dca9-8
0.598
PET-UNK-ee8352fa-6
0.598
RAL-THA-b9d6aec1-3
0.598
ALF-EVA-5b152d2f-7
0.598
PET-UNK-b1ef24dc-6
0.596
MAK-UNK-8be7dca9-2
0.591
PET-UNK-b38839dc-5
0.591
PET-UNK-f4e47ebd-3
0.591
ALF-EVA-5b152d2f-8
0.591
PET-UNK-b1ef24dc-8
0.591
MAT-POS-afb6844f-3
0.591
PET-UNK-b1ef24dc-7
0.591
MAT-POS-afb6844f-4
0.591
MAT-POS-b3e365b9-4
0.588
JAN-GHE-f4ca5a00-13
0.588
DAR-DIA-6a508060-6
0.588
BRU-CON-c4e3408a-1
0.588
MAT-POS-b3e365b9-3
0.588
ERI-UCB-8d4e5055-3
0.587
PET-UNK-6314f867-1
0.587
MAT-POS-7ddaf7de-2
0.587
MAT-POS-afb6844f-2
0.586
RAL-THA-b9d6aec1-2
0.585
PET-UNK-b38839dc-3
0.584
PET-UNK-e274cad4-2
0.582
ALF-EVA-5b152d2f-5
0.581
ALP-POS-b3e0acc5-2
0.580
JAG-UCB-571deb56-5
0.579
MAT-POS-afb6844f-5
0.578
MAT-POS-14f31916-5
0.578
MIC-UNK-b904ca85-2
0.578
PET-UNK-7f7e354d-1
0.578
MAK-UNK-919546f0-1
0.575
MAK-UNK-f481d203-1
0.575
EDJ-MED-e9694d2b-1
0.575
ERI-UCB-9c7ec71b-2
0.575
MAK-UNK-f481d203-2
0.575
LON-WEI-0a73fcb8-7
0.575
PET-UNK-f4e47ebd-4
0.574
TET-ENA-382364b7-1
0.574
MAT-POS-a2421bb6-1
0.573
JAG-UCB-571deb56-2
0.573
MAT-POS-419aafdb-2
0.573
ADA-UCB-dc2b944c-8
0.571
BEN-DND-a7517465-11
0.570
MAT-POS-a2421bb6-3
0.570
EDJ-MED-51d3200d-4
0.568
MAT-POS-419aafdb-1
0.567
JOH-SUS-a69c159d-2
0.567
BEN-DND-a7517465-10
0.567
BEN-DND-c852c98b-8
0.567
JOH-SUS-a69c159d-5
0.565