Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCOc2cccc(F)c21 |
MW: | 322.11 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 3.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
RAL-THA-05e671eb-32
0.716
RAL-THA-05e671eb-34
0.707
RAL-THA-05e671eb-35
0.690
RAL-THA-05e671eb-36
0.690
RAL-THA-05e671eb-28
0.671
RAL-THA-05e671eb-27
0.640
EDJ-MED-e4b030d8-10
0.640
RAL-THA-05e671eb-29
0.632
EDJ-MED-e4b030d8-8
0.632
RAL-THA-05e671eb-30
0.629
RAL-THA-05e671eb-22
0.619
RAL-THA-05e671eb-31
0.604
ALP-UNI-3735e77e-3
0.596
RAL-THA-05e671eb-11
0.596
ADA-UCB-dc2b944c-7
0.591
RAL-THA-05e671eb-13
0.591
RAL-THA-05e671eb-4
0.591
RAL-THA-05e671eb-1
0.588
RAL-THA-05e671eb-3
0.573
ALP-POS-fe871b40-9
0.571
MAT-POS-a13804f0-2
0.571
RAL-THA-05e671eb-10
0.571
ALP-POS-d91e0300-1
0.571
MAT-POS-a13804f0-3
0.571
RAL-THA-05e671eb-12
0.567
MAT-POS-b3e365b9-2
0.556
MAT-POS-b3e365b9-1
0.556
VLA-UCB-1dbca3b4-15
0.556
MAT-POS-f7918075-1
0.556
RAL-THA-05e671eb-17
0.554
ALP-POS-c86619f0-1
0.549
ADA-UCB-dc2b944c-5
0.549
ALP-UNI-4b8a177c-1
0.549
MAT-POS-11b63608-1
0.549
RAL-THA-05e671eb-5
0.549
RAL-THA-05e671eb-15
0.549
RAL-THA-05e671eb-21
0.545
RYA-UNI-6d7114fd-1
0.544
ALP-POS-869ac754-1
0.544
RAL-THA-05e671eb-2
0.544
EDJ-MED-e4b030d8-9
0.538
RAL-THA-05e671eb-26
0.533
RAL-THA-05e671eb-14
0.532
RAL-THA-05e671eb-6
0.532
ALP-POS-869ac754-2
0.522
RAL-THA-05e671eb-24
0.522
DAR-DIA-6a508060-8
0.521
RAL-THA-05e671eb-7
0.521
RAL-THA-05e671eb-9
0.521
DAR-DIA-6a508060-3
0.521
RAL-THA-05e671eb-8
0.516
ALF-EVA-ced740bd-4
0.511
ALP-POS-ce760d3f-1
0.511
RAL-THA-05e671eb-23
0.505
BEN-DND-d1eb1f41-18
0.500
ALP-UNI-3735e77e-2
0.500
RAL-THA-05e671eb-16
0.500
VLA-UNK-9a7dc93f-4
0.495
EDJ-MED-e4b030d8-5
0.495
FRA-DIA-c7e803f4-1
0.494
FRA-DIA-0fa076fe-1
0.494
ALF-EVA-5b152d2f-1
0.490
RAL-THA-05e671eb-18
0.490
PET-UNK-c0891748-2
0.489
ALP-POS-fe871b40-5
0.489
EDJ-MED-12f7f543-1
0.489
PET-UNK-c0891748-8
0.489
RAL-THA-05e671eb-25
0.489
MIC-UNK-08fa0751-1
0.480
LAU-MED-88a3970a-6
0.480
LAU-MED-88a3970a-5
0.480
MAT-POS-43fe65f4-1
0.480
EDJ-MED-e4b030d8-7
0.480
DAR-DIA-6a508060-4
0.480
RAL-THA-05e671eb-19
0.480
ALP-POS-f1807566-1
0.479
MAT-POS-acfe5bae-6
0.479
MAT-POS-2e8b2191-3
0.479
EDJ-MED-12c115cc-1
0.478
EDJ-MED-12c115cc-2
0.478
MAT-POS-f7918075-2
0.478
MAT-POS-bbbbc21a-2
0.478
ALP-POS-fe871b40-1
0.475
RAL-THA-05e671eb-20
0.475
DAR-DIA-9f765dc6-1
0.474
DAR-DIA-9f765dc6-4
0.474
BEN-BAS-c2bc0d80-5
0.474
DAR-DIA-9f765dc6-3
0.474
DAR-DIA-0587064e-12
0.471
MAT-POS-5369c344-4
0.471
LAU-MED-88a3970a-2
0.466
LAU-MED-88a3970a-1
0.466
LAU-MED-88a3970a-18
0.466
LAU-MED-88a3970a-17
0.466
ALF-EVA-5b152d2f-6
0.465
BEN-DND-d1eb1f41-11
0.465
EDJ-MED-e4b030d8-4
0.456
LAU-MED-88a3970a-7
0.456
LAU-MED-88a3970a-8
0.456
ROB-UNI-322e8f70-3
0.454