Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)c(NS(C)(=O)=O)cc23)CCOc2c(F)cc(Cl)cc21 |
MW: | 497.06 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 106.62 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
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-81b485b5-24
1.000
PET-UNK-81b485b5-7
0.740
PET-UNK-81b485b5-21
0.740
PET-UNK-81b485b5-22
0.724
PET-UNK-81b485b5-8
0.724
PET-UNK-81b485b5-9
0.723
PET-UNK-81b485b5-23
0.723
PET-UNK-81b485b5-26
0.710
PET-UNK-81b485b5-12
0.710
PET-UNK-a7639856-2
0.707
PET-UNK-81b485b5-6
0.677
PET-UNK-81b485b5-20
0.677
PET-UNK-81b485b5-1
0.673
PET-UNK-81b485b5-15
0.673
PET-UNK-81b485b5-14
0.663
PET-UNK-81b485b5-28
0.663
PET-UNK-81b485b5-11
0.660
PET-UNK-81b485b5-25
0.660
PET-UNK-81b485b5-27
0.657
PET-UNK-81b485b5-13
0.657
PET-UNK-329a9ce9-7
0.623
PET-UNK-09a29654-5
0.611
PET-UNK-81b485b5-19
0.608
PET-UNK-81b485b5-5
0.608
PET-UNK-81b485b5-4
0.602
PET-UNK-81b485b5-18
0.602
PET-UNK-81b485b5-17
0.596
PET-UNK-81b485b5-3
0.596
PET-UNK-81b485b5-2
0.592
PET-UNK-81b485b5-16
0.592
PET-UNK-e9bc7c59-8
0.582
PET-UNK-e9bc7c59-11
0.577
MAT-POS-932d1078-2
0.528
EDJ-MED-37aac4bd-4
0.528
MAT-POS-932d1078-3
0.528
PET-UNK-a7639856-3
0.526
PET-UNK-b38839dc-19
0.523
PET-UNK-ee8352fa-2
0.518
EDG-MED-10fcb19e-2
0.518
EDG-MED-10fcb19e-1
0.504
MAT-POS-96f51285-2
0.495
EDJ-MED-611d11e7-1
0.495
ALP-POS-6f6ae286-3
0.486
PET-UNK-5d7c542f-1
0.486
MAT-POS-a5ef2d74-2
0.486
MAT-POS-ec6d90b7-4
0.486
EDJ-MED-611d11e7-4
0.486
ALP-POS-fe871b40-3
0.482
EDJ-MED-6bf93aa8-1
0.478
MIC-UNK-7f86385f-1
0.474
EDJ-MED-1b46f08e-1
0.474
EDJ-MED-93390d0c-3
0.474
ALF-EVA-82cf4849-8
0.470
PET-UNK-b38839dc-20
0.469
MIC-UNK-7f86385f-4
0.467
MIC-UNK-7f86385f-2
0.466
EDG-MED-10fcb19e-3
0.466
PET-UNK-a7639856-1
0.466
PET-UNK-5d7c542f-2
0.465
PET-UNK-29afea89-2
0.464
EDJ-MED-d08626de-2
0.464
EDG-MED-0e5afe9d-3
0.464
EDJ-MED-d08626de-1
0.464
MIC-UNK-7f86385f-5
0.463
ALP-POS-93b3621f-4
0.461
EDJ-MED-93390d0c-4
0.457
MIC-UNK-7f86385f-3
0.455
ALF-EVA-82cf4849-11
0.453
PET-UNK-ee8352fa-3
0.452
ALP-POS-93b3621f-3
0.448
PET-UNK-4b4f2bb7-7
0.447
PET-UNK-f4e47ebd-19
0.447
MAT-POS-24589f88-1
0.447
EDJ-MED-611d11e7-7
0.447
MAT-POS-96f51285-1
0.447
PET-UNK-ee8352fa-1
0.447
PET-UNK-f4e47ebd-17
0.446
MAT-POS-a5ef2d74-3
0.446
EDJ-MED-611d11e7-10
0.446
EDJ-MED-ee742daa-3
0.445
PET-UNK-f4e47ebd-18
0.443
PET-UNK-329a9ce9-8
0.443
PET-UNK-b78139fa-15
0.441
PET-UNK-329a9ce9-3
0.441
EDG-MED-10fcb19e-5
0.433
PET-UNK-03fd2068-8
0.431
PET-UNK-09a29654-6
0.427
ALP-POS-fe871b40-11
0.426
PET-UNK-03fd2068-7
0.426
MAT-POS-993cdc78-2
0.426
MAT-POS-993cdc78-1
0.426
PET-UNK-b38839dc-22
0.425
ALF-EVA-82cf4849-13
0.425
PET-UNK-329a9ce9-5
0.425
PET-UNK-c0891748-1
0.425
ALP-POS-fe871b40-7
0.425
PET-UNK-c0891748-7
0.425
EDJ-MED-37aac4bd-5
0.425
PET-UNK-e9bc7c59-2
0.420
ALF-EVA-82cf4849-12
0.418