Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)ccc23)CCOc2cc(F)c(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: | ✗ |
EDJ-MED-93390d0c-3
0.780
ALP-POS-fe871b40-11
0.756
MAT-POS-993cdc78-1
0.756
MAT-POS-993cdc78-2
0.756
PET-UNK-03fd2068-7
0.756
PET-UNK-5d7c542f-1
0.747
ALP-POS-6f6ae286-3
0.747
PET-UNK-f4e47ebd-21
0.736
PET-UNK-f4e47ebd-22
0.713
PET-UNK-f4e47ebd-20
0.691
EDJ-MED-93390d0c-4
0.663
PET-UNK-f4e47ebd-23
0.653
PET-UNK-81b485b5-20
0.649
PET-UNK-81b485b5-6
0.649
MAT-POS-78e1d523-3
0.604
EDJ-MED-d08626de-3
0.604
MAT-POS-78e1d523-4
0.604
EDJ-MED-d08626de-4
0.604
EDJ-MED-d08626de-5
0.604
EDJ-MED-37aac4bd-1
0.604
PET-UNK-bcc8fd08-3
0.588
VLA-UNK-a5257d84-1
0.582
PET-UNK-4b4f2bb7-5
0.569
ALP-POS-6f6ae286-2
0.569
PET-UNK-5d7c542f-2
0.563
MAT-POS-a5ef2d74-2
0.560
MAT-POS-ec6d90b7-4
0.560
EDJ-MED-611d11e7-4
0.560
ALP-POS-93b3621f-4
0.558
PET-UNK-03fd2068-11
0.551
EDJ-MED-6bf93aa8-1
0.547
PET-UNK-b78139fa-14
0.545
EDJ-MED-1b46f08e-1
0.542
MIC-UNK-7f86385f-1
0.542
PET-UNK-b566c0b0-1
0.538
EDJ-MED-d08626de-2
0.535
PET-UNK-29afea89-2
0.535
EDG-MED-0e5afe9d-3
0.535
EDJ-MED-d08626de-1
0.535
EDG-MED-10fcb19e-2
0.533
MIC-UNK-7f86385f-2
0.532
MIC-UNK-7f86385f-4
0.532
PET-UNK-407a74a5-15
0.529
PET-UNK-407a74a5-10
0.529
PET-UNK-6e612674-5
0.528
PET-UNK-6e612674-13
0.528
PET-UNK-b38839dc-19
0.524
PET-UNK-6e612674-1
0.524
PET-UNK-6e612674-9
0.524
PET-UNK-f9b7ae87-5
0.524
PET-UNK-ee8352fa-2
0.519
MIC-UNK-7f86385f-3
0.518
PET-UNK-f4e47ebd-19
0.514
MIC-UNK-7f86385f-5
0.513
PET-UNK-b38839dc-20
0.509
PET-UNK-a7639856-2
0.509
PET-UNK-03fd2068-9
0.505
MIC-UNK-ea4eb352-12
0.500
PET-UNK-b566c0b0-9
0.500
PET-UNK-03fd2068-2
0.490
PET-UNK-a7639856-3
0.487
MAT-POS-932d1078-2
0.486
PET-UNK-f4e47ebd-17
0.486
EDJ-MED-37aac4bd-4
0.486
MAT-POS-a5ef2d74-3
0.486
MAT-POS-932d1078-3
0.486
EDJ-MED-611d11e7-10
0.486
PET-UNK-ee8352fa-3
0.477
NIR-THE-3fc2bec4-1
0.477
ALP-POS-fe871b40-12
0.477
MIC-UNK-ea4eb352-11
0.477
PET-UNK-81b485b5-1
0.477
PET-UNK-81b485b5-15
0.477
PET-UNK-6da3dcd8-18
0.475
ALP-POS-93b3621f-3
0.473
EDJ-MED-611d11e7-7
0.472
MAT-POS-24589f88-1
0.472
PET-UNK-ee8352fa-1
0.472
MAT-POS-96f51285-1
0.472
EDJ-MED-c3ea9889-6
0.472
EDJ-MED-611d11e7-1
0.468
PET-UNK-f4e47ebd-18
0.468
MIC-UNK-ea4eb352-9
0.468
MAT-POS-96f51285-2
0.468
ALF-EVA-82cf4849-11
0.464
PET-UNK-0df12184-5
0.462
MAR-UCB-fd2e172f-24
0.462
ALF-EVA-82cf4849-13
0.460
PET-UNK-81b485b5-14
0.459
PET-UNK-81b485b5-28
0.459
PET-UNK-0df12184-1
0.458
PET-UNK-407a74a5-17
0.458
EDG-MED-10fcb19e-5
0.456
ALF-EVA-82cf4849-8
0.455
PET-UNK-81b485b5-22
0.455
PET-UNK-81b485b5-8
0.455
PET-UNK-6da3dcd8-15
0.455
JOH-UNI-6e27fddc-1
0.454
MAR-UCB-fd2e172f-31
0.454
MAR-UCB-fd2e172f-41
0.453