Molecular Properties | |
SMILES: | CO[C@]1(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)CCOc2cc(F)c(Cl)cc21 |
MW: | 464.06 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.59 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-03fd2068-8
0.780
EDJ-MED-93390d0c-4
0.774
ALP-POS-fe871b40-11
0.720
MAT-POS-993cdc78-2
0.720
PET-UNK-f4e47ebd-21
0.720
MAT-POS-993cdc78-1
0.720
PET-UNK-03fd2068-7
0.684
PET-UNK-f4e47ebd-22
0.680
PET-UNK-f4e47ebd-20
0.677
PET-UNK-f4e47ebd-23
0.640
EDJ-MED-6bf93aa8-1
0.627
EDJ-MED-1b46f08e-1
0.621
MIC-UNK-7f86385f-1
0.621
MIC-UNK-7f86385f-2
0.610
MIC-UNK-7f86385f-3
0.593
MIC-UNK-7f86385f-4
0.593
MAT-POS-78e1d523-3
0.592
EDJ-MED-d08626de-3
0.592
MAT-POS-78e1d523-4
0.592
EDJ-MED-d08626de-4
0.592
EDJ-MED-d08626de-5
0.592
EDJ-MED-37aac4bd-1
0.592
MIC-UNK-7f86385f-5
0.587
EDG-MED-10fcb19e-2
0.581
ALP-POS-6f6ae286-3
0.578
PET-UNK-5d7c542f-1
0.578
EDJ-MED-211392e3-2
0.571
MAT-POS-96f51285-2
0.558
EDJ-MED-611d11e7-1
0.558
PET-UNK-a7639856-2
0.557
ALP-POS-93b3621f-4
0.547
VLA-UNK-a5257d84-1
0.539
PET-UNK-5d7c542f-2
0.538
PET-UNK-6e612674-7
0.537
PET-UNK-6e612674-15
0.537
PET-UNK-6e612674-11
0.533
PET-UNK-6e612674-3
0.533
PET-UNK-81b485b5-26
0.518
PET-UNK-81b485b5-12
0.518
PET-UNK-a7639856-3
0.518
PET-UNK-b38839dc-19
0.514
ALF-EVA-82cf4849-8
0.514
PET-UNK-29afea89-2
0.510
EDJ-MED-d08626de-1
0.510
EDJ-MED-d08626de-2
0.510
EDG-MED-0e5afe9d-3
0.510
PET-UNK-ee8352fa-2
0.509
EDJ-MED-946e547c-1
0.509
MAT-POS-ec6d90b7-4
0.505
MAT-POS-a5ef2d74-2
0.505
EDJ-MED-611d11e7-4
0.505
PET-UNK-81b485b5-6
0.500
PET-UNK-b38839dc-20
0.500
PET-UNK-81b485b5-20
0.500
EDG-MED-10fcb19e-3
0.495
PET-UNK-f4e47ebd-19
0.491
EDJ-MED-c3ea9889-5
0.491
EDG-MED-10fcb19e-1
0.482
PET-UNK-a7639856-1
0.482
PET-UNK-f4e47ebd-17
0.477
MAT-POS-a5ef2d74-3
0.477
EDJ-MED-611d11e7-10
0.477
PET-UNK-81b485b5-10
0.474
PET-UNK-81b485b5-24
0.474
PET-UNK-ee8352fa-3
0.468
ALP-POS-93b3621f-3
0.464
MAT-POS-96f51285-1
0.464
EDJ-MED-611d11e7-7
0.464
MAT-POS-24589f88-1
0.464
PET-UNK-ee8352fa-1
0.464
EDJ-MED-70ab3faf-2
0.464
MIC-UNK-ea4eb352-12
0.463
PET-UNK-03fd2068-11
0.461
PET-UNK-f4e47ebd-18
0.459
MAT-POS-c88128cb-14
0.459
PET-UNK-81b485b5-11
0.458
PET-UNK-81b485b5-25
0.458
ALF-EVA-82cf4849-11
0.456
EDG-MED-10fcb19e-4
0.455
NIR-THE-3fc2bec4-1
0.455
ALP-POS-fe871b40-12
0.455
MIC-UNK-ea4eb352-11
0.455
PET-UNK-81b485b5-15
0.455
PET-UNK-81b485b5-1
0.455
ALF-EVA-82cf4849-13
0.452
PET-UNK-bcc8fd08-3
0.451
EDG-MED-b8f93667-2
0.450
MAT-POS-932d1078-2
0.450
MAT-POS-932d1078-3
0.450
ERI-UCB-8d4e5055-3
0.450
MAT-POS-7ddaf7de-2
0.450
EDJ-MED-37aac4bd-4
0.450
EDG-MED-10fcb19e-5
0.448
PET-UNK-81b485b5-8
0.447
PET-UNK-81b485b5-22
0.447
MAR-UCB-fd2e172f-31
0.445
PET-UNK-b38839dc-18
0.444
PET-UNK-0df12184-2
0.444
EDJ-MED-923a35c2-2
0.444
ALF-EVA-82cf4849-12
0.444