Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)ccc23)CCOc2c(F)cc(Cl)cc21 |
MW: | 404.07 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 4.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-a7639856-3
PET-UNK-a7639856-1
PET-UNK-7f7e354d-7
RAL-THA-05e671eb-17
JIN-POS-6dc588a4-22
RUB-POS-1325a9ea-12
EDJ-MED-37aac4bd-4
EDG-MED-10fcb19e-1
PET-UNK-a7639856-2
PET-UNK-f4e47ebd-2
PET-UNK-d899bab6-2
PET-UNK-b38839dc-1
RAL-THA-2d450e86-14
RUB-POS-1325a9ea-14
MAT-POS-96f51285-2
PET-UNK-f4e47ebd-1
JIN-POS-6dc588a4-11
PET-UNK-81b485b5-20
1.000
PET-UNK-81b485b5-1
0.756
PET-UNK-81b485b5-15
0.756
PET-UNK-81b485b5-14
0.723
PET-UNK-81b485b5-28
0.723
PET-UNK-81b485b5-7
0.713
PET-UNK-81b485b5-21
0.713
PET-UNK-81b485b5-22
0.698
PET-UNK-81b485b5-8
0.698
PET-UNK-5d7c542f-1
0.691
ALP-POS-6f6ae286-3
0.691
PET-UNK-81b485b5-10
0.677
PET-UNK-81b485b5-24
0.677
PET-UNK-81b485b5-4
0.674
PET-UNK-81b485b5-18
0.674
PET-UNK-81b485b5-12
0.667
PET-UNK-81b485b5-26
0.667
PET-UNK-81b485b5-13
0.663
PET-UNK-81b485b5-27
0.663
PET-UNK-81b485b5-5
0.663
PET-UNK-81b485b5-19
0.663
PET-UNK-03fd2068-8
0.649
PET-UNK-81b485b5-9
0.647
PET-UNK-81b485b5-23
0.647
PET-UNK-81b485b5-25
0.635
PET-UNK-81b485b5-11
0.635
PET-UNK-81b485b5-3
0.633
PET-UNK-81b485b5-17
0.633
PET-UNK-81b485b5-16
0.629
PET-UNK-81b485b5-2
0.629
EDJ-MED-37aac4bd-4
0.608
MAT-POS-932d1078-3
0.608
MAT-POS-932d1078-2
0.608
PET-UNK-4b4f2bb7-5
0.600
PET-UNK-b566c0b0-1
0.600
ALP-POS-6f6ae286-2
0.600
PET-UNK-b78139fa-14
0.592
PET-UNK-f9b7ae87-5
0.569
PET-UNK-6e612674-1
0.569
PET-UNK-6e612674-9
0.569
PET-UNK-6e612674-5
0.558
PET-UNK-6e612674-13
0.558
PET-UNK-bcc8fd08-3
0.558
PET-UNK-407a74a5-15
0.545
ALP-POS-fe871b40-3
0.538
PET-UNK-03fd2068-9
0.533
PET-UNK-407a74a5-10
0.529
PET-UNK-5d7c542f-2
0.519
EDJ-MED-611d11e7-4
0.515
MAT-POS-ec6d90b7-4
0.515
MAT-POS-a5ef2d74-2
0.515
ALP-POS-93b3621f-4
0.514
PET-UNK-b566c0b0-9
0.514
EDJ-MED-93390d0c-3
0.500
PET-UNK-407a74a5-17
0.500
PET-UNK-03fd2068-11
0.495
MIC-UNK-7f86385f-4
0.491
EDG-MED-10fcb19e-2
0.491
EDJ-MED-6bf93aa8-1
0.491
PET-UNK-29afea89-2
0.490
EDG-MED-0e5afe9d-3
0.490
EDJ-MED-d08626de-2
0.490
EDJ-MED-d08626de-1
0.490
PET-UNK-6da3dcd8-18
0.487
MIC-UNK-7f86385f-1
0.486
EDJ-MED-1b46f08e-1
0.486
EDJ-MED-c3ea9889-6
0.486
PET-UNK-b38839dc-19
0.481
PET-UNK-6da3dcd8-15
0.479
EDG-MED-b8f93667-1
0.478
MIC-UNK-7f86385f-2
0.478
PET-UNK-ee8352fa-2
0.477
PET-UNK-03fd2068-7
0.477
MAT-POS-993cdc78-1
0.477
ALP-POS-fe871b40-11
0.477
MAT-POS-c88128cb-13
0.477
MAT-POS-993cdc78-2
0.477
PET-UNK-c0891748-7
0.476
ALP-POS-fe871b40-7
0.476
EDJ-MED-37aac4bd-5
0.476
PET-UNK-c0891748-1
0.476
MIC-UNK-7f86385f-5
0.474
PET-UNK-bcc8fd08-6
0.474
PET-UNK-f4e47ebd-19
0.472
PET-UNK-407a74a5-16
0.472
EDJ-MED-ee742daa-3
0.471
PET-UNK-a7639856-2
0.468
PET-UNK-407a74a5-11
0.468
PET-UNK-407a74a5-12
0.468
MIC-UNK-7f86385f-3
0.466
PET-UNK-f4e47ebd-21
0.463
PET-UNK-407a74a5-9
0.459
PET-UNK-6da3dcd8-12
0.459
PET-UNK-4b4f2bb7-7
0.459
EDG-MED-b8f93667-3
0.459
PET-UNK-407a74a5-18
0.458
PET-UNK-ab76d8f6-1
0.455
PET-UNK-b38839dc-20
0.455
EDJ-MED-37aac4bd-1
0.453
MAT-POS-78e1d523-3
0.453