Molecular Properties | |
SMILES: | CO[C@]1(C(=O)Nc2cncc3ccc(S(C)(=O)=O)cc23)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-03fd2068-7
0.789
EDJ-MED-93390d0c-3
0.774
EDJ-MED-611d11e7-1
0.734
MAT-POS-96f51285-2
0.734
ALP-POS-fe871b40-11
0.731
MAT-POS-993cdc78-1
0.731
MAT-POS-993cdc78-2
0.731
PET-UNK-f4e47ebd-20
0.705
PET-UNK-f4e47ebd-21
0.677
EDJ-MED-946e547c-1
0.670
PET-UNK-f4e47ebd-23
0.667
PET-UNK-81b485b5-12
0.663
PET-UNK-81b485b5-26
0.663
PET-UNK-03fd2068-8
0.663
ALF-EVA-82cf4849-8
0.644
PET-UNK-f4e47ebd-22
0.640
EDG-MED-10fcb19e-3
0.637
MAT-POS-78e1d523-3
0.602
EDJ-MED-d08626de-3
0.602
MAT-POS-78e1d523-4
0.602
EDJ-MED-d08626de-4
0.602
EDJ-MED-d08626de-5
0.602
EDJ-MED-37aac4bd-1
0.602
MAT-POS-a5ef2d74-2
0.590
MAT-POS-ec6d90b7-4
0.590
EDJ-MED-611d11e7-4
0.590
EDJ-MED-923a35c2-2
0.589
EDG-MED-10fcb19e-1
0.561
PET-UNK-a7639856-1
0.561
PET-UNK-a7639856-2
0.551
VLA-UNK-a5257d84-1
0.549
EDJ-MED-611d11e7-7
0.543
MAT-POS-24589f88-1
0.543
PET-UNK-ee8352fa-1
0.543
MAT-POS-96f51285-1
0.543
ALP-POS-93b3621f-3
0.542
PET-UNK-b566c0b0-2
0.542
ALF-EVA-82cf4849-11
0.532
FRA-DIA-6238d354-1
0.523
EDJ-MED-923a35c2-1
0.523
EDG-MED-10fcb19e-5
0.523
PET-UNK-29afea89-2
0.519
EDJ-MED-d08626de-2
0.519
EDG-MED-0e5afe9d-3
0.519
EDJ-MED-d08626de-1
0.519
EDJ-MED-611d11e7-3
0.519
MAT-POS-96f51285-4
0.519
EDJ-MED-6bf93aa8-1
0.518
PET-UNK-81b485b5-11
0.518
PET-UNK-81b485b5-25
0.518
EDJ-MED-923a35c2-3
0.514
ALF-EVA-82cf4849-13
0.514
PET-UNK-a7639856-3
0.513
PET-UNK-b38839dc-19
0.509
PET-UNK-ee8352fa-2
0.505
ALF-EVA-82cf4849-12
0.504
PET-UNK-81b485b5-9
0.500
MIC-UNK-7f86385f-1
0.500
EDJ-MED-611d11e7-10
0.500
EDJ-MED-1b46f08e-1
0.500
PET-UNK-f4e47ebd-17
0.500
MAT-POS-a5ef2d74-3
0.500
PET-UNK-81b485b5-23
0.500
PET-UNK-b38839dc-20
0.495
ALF-EVA-82cf4849-4
0.495
MIC-UNK-7f86385f-4
0.491
MIC-UNK-7f86385f-2
0.491
EDG-MED-10fcb19e-2
0.491
EDJ-MED-ce467fd5-3
0.487
MIC-UNK-7f86385f-5
0.487
ALP-POS-6f6ae286-3
0.486
PET-UNK-5d7c542f-1
0.486
PET-UNK-b566c0b0-7
0.482
PET-UNK-f4e47ebd-18
0.482
MIC-UNK-7f86385f-3
0.479
PET-UNK-ee8352fa-3
0.477
PET-UNK-49566573-3
0.474
MIC-UNK-ea4eb352-12
0.472
PET-UNK-b38839dc-18
0.467
MAR-UCB-fd2e172f-41
0.467
PET-UNK-03fd2068-10
0.465
PET-UNK-5d7c542f-2
0.464
NIR-THE-3fc2bec4-1
0.464
PET-UNK-81b485b5-1
0.464
PET-UNK-81b485b5-15
0.464
ALP-POS-fe871b40-12
0.464
MIC-UNK-ea4eb352-11
0.464
ALP-POS-93b3621f-4
0.460
PET-UNK-bcc8fd08-2
0.459
PET-UNK-f4e47ebd-19
0.459
MAT-POS-932d1078-2
0.459
MAT-POS-932d1078-3
0.459
EDJ-MED-37aac4bd-4
0.459
PET-UNK-81b485b5-10
0.457
PET-UNK-81b485b5-24
0.457
MIC-UNK-ea4eb352-9
0.455
MAT-POS-edabd372-2
0.455
PET-UNK-0df12184-2
0.454
EDJ-MED-841e0cf0-4
0.450
EDJ-MED-670ad2ee-4
0.450