Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1COc2ccc(F)cc21 |
MW: | 308.1 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 3.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-f7918075-2
ALF-EVA-ced740bd-3
0.747
EDJ-MED-12c115cc-1
0.737
EDJ-MED-12c115cc-2
0.737
MAT-POS-bbbbc21a-2
0.737
MAT-POS-f7918075-2
0.737
RAL-THA-05e671eb-4
0.722
ADA-UCB-dc2b944c-7
0.722
MAR-UCB-6ab2ec87-5
0.595
RAL-THA-05e671eb-11
0.568
ALP-UNI-3735e77e-3
0.568
RAL-THA-05e671eb-13
0.563
FRA-DIA-0fa076fe-1
0.554
FRA-DIA-c7e803f4-1
0.554
FRA-DIA-0fa076fe-2
0.553
VLA-UCB-1dbca3b4-15
0.545
MAT-POS-f7918075-1
0.545
MAT-POS-b3e365b9-2
0.545
MAT-POS-b3e365b9-1
0.545
MAT-POS-a13804f0-3
0.544
ALP-POS-fe871b40-9
0.544
MAT-POS-a13804f0-2
0.544
RAL-THA-05e671eb-10
0.544
ALP-POS-d91e0300-1
0.544
MAR-UCB-6ab2ec87-4
0.540
RAL-THA-05e671eb-5
0.539
ALP-POS-c86619f0-1
0.539
ADA-UCB-dc2b944c-5
0.539
MAT-POS-11b63608-1
0.539
RAL-THA-05e671eb-6
0.538
ROB-UNI-8bf7c232-1
0.533
ALF-EVA-5b152d2f-1
0.527
RAL-THA-05e671eb-7
0.527
DAR-DIA-6a508060-3
0.527
DAR-DIA-6a508060-8
0.527
RAL-THA-05e671eb-1
0.523
RAL-THA-05e671eb-8
0.522
RAL-THA-05e671eb-22
0.517
RYA-UNI-6d7114fd-1
0.517
RAL-THA-05e671eb-2
0.517
ALP-POS-869ac754-1
0.517
MAT-POS-2e8b2191-3
0.516
MAT-POS-8a69d52e-7
0.516
EDJ-MED-e4b030d8-11
0.516
MAT-POS-8a69d52e-4
0.516
ADA-UCB-dc2b944c-14
0.516
MAT-POS-8a69d52e-5
0.516
BRU-THA-01b12488-1
0.516
ADA-UCB-dc2b944c-13
0.516
MAT-POS-8a69d52e-6
0.516
RAL-THA-05e671eb-28
0.516
RAL-THA-05e671eb-33
0.511
RAL-THA-05e671eb-17
0.511
DAR-DIA-0d514e7d-8
0.505
DAR-DIA-0d514e7d-11
0.505
ALP-POS-f1807566-1
0.500
MAT-POS-acfe5bae-6
0.500
RAL-THA-05e671eb-35
0.500
VLA-UNK-9a7dc93f-3
0.500
PET-UNK-c0891748-6
0.500
PET-UNK-c0891748-4
0.500
MAT-POS-2e8b2191-2
0.500
PET-UNK-c0891748-10
0.500
PET-UNK-c0891748-12
0.500
ADA-UCB-dc2b944c-16
0.500
RAL-THA-05e671eb-32
0.500
RAL-THA-05e671eb-9
0.495
EDJ-MED-e4b030d8-2
0.495
ALP-POS-d3acb8cc-4
0.495
EDJ-MED-e4b030d8-3
0.495
ALP-POS-d3acb8cc-1
0.495
MAT-POS-8a69d52e-1
0.495
MAT-POS-8a69d52e-2
0.495
ALP-POS-d3acb8cc-2
0.495
MAT-POS-8a69d52e-3
0.495
ALP-POS-d3acb8cc-3
0.495
RAL-THA-05e671eb-3
0.495
RAL-THA-05e671eb-34
0.495
BEN-DND-f2e727cd-4
0.495
ALP-UNI-c3ef0aba-2
0.495
ALP-UNI-c3ef0aba-1
0.494
RAL-THA-05e671eb-14
0.489
MAK-UNK-8be7dca9-10
0.489
BEN-BAS-5c03e89e-1
0.489
RAL-THA-05e671eb-12
0.489
RAL-THA-05e671eb-27
0.489
ALP-UNI-3735e77e-2
0.489
RAL-THA-05e671eb-15
0.489
EDJ-MED-e4b030d8-10
0.489
RAL-THA-05e671eb-16
0.489
DAR-DIA-0d514e7d-13
0.485
RAL-THA-05e671eb-30
0.484
VLA-UNK-9a7dc93f-4
0.484
MAK-UNK-8be7dca9-3
0.484
EDJ-MED-e4b030d8-8
0.484
RAL-THA-05e671eb-29
0.484
ERI-UCB-b3e6b0c2-10
0.484
RAL-THA-05e671eb-21
0.483
ALP-POS-fe871b40-10
0.479
ALP-UNI-ba800595-2
0.479
DAR-DIA-9f765dc6-1
0.479