Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccc(N(C)S(C)(=O)=O)cc23)CCOc2c(F)cc(Cl)cc21 |
MW: | 493.09 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 97.83 |
cLogP: | 3.69 |
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-81b485b5-25
1.000
PET-UNK-81b485b5-26
0.750
PET-UNK-81b485b5-12
0.750
PET-UNK-81b485b5-9
0.728
PET-UNK-81b485b5-23
0.728
PET-UNK-a7639856-1
0.706
PET-UNK-81b485b5-1
0.697
PET-UNK-81b485b5-15
0.697
PET-UNK-81b485b5-22
0.680
PET-UNK-81b485b5-8
0.680
PET-UNK-81b485b5-10
0.660
PET-UNK-81b485b5-24
0.660
PET-UNK-81b485b5-7
0.644
PET-UNK-81b485b5-21
0.644
PET-UNK-81b485b5-20
0.635
PET-UNK-81b485b5-6
0.635
PET-UNK-81b485b5-13
0.632
PET-UNK-81b485b5-27
0.632
PET-UNK-329a9ce9-6
0.615
PET-UNK-81b485b5-14
0.607
PET-UNK-81b485b5-28
0.607
PET-UNK-09a29654-4
0.604
PET-UNK-81b485b5-19
0.600
PET-UNK-81b485b5-5
0.600
PET-UNK-81b485b5-4
0.594
PET-UNK-81b485b5-18
0.594
PET-UNK-e9bc7c59-7
0.580
PET-UNK-81b485b5-3
0.574
PET-UNK-81b485b5-17
0.574
PET-UNK-e9bc7c59-10
0.570
PET-UNK-81b485b5-2
0.570
PET-UNK-81b485b5-16
0.570
PET-UNK-ee8352fa-1
0.565
MAT-POS-932d1078-2
0.551
EDJ-MED-37aac4bd-4
0.551
MAT-POS-932d1078-3
0.551
MAT-POS-ec6d90b7-4
0.537
EDJ-MED-611d11e7-4
0.537
MAT-POS-a5ef2d74-2
0.537
PET-UNK-a7639856-3
0.534
MAT-POS-96f51285-2
0.532
EDJ-MED-611d11e7-1
0.532
ALF-EVA-82cf4849-8
0.518
EDJ-MED-93390d0c-4
0.518
EDG-MED-10fcb19e-1
0.513
ALP-POS-fe871b40-3
0.504
PET-UNK-03fd2068-7
0.500
EDG-MED-10fcb19e-3
0.500
ALF-EVA-82cf4849-11
0.500
ALP-POS-93b3621f-3
0.496
MAT-POS-96f51285-1
0.496
MAT-POS-24589f88-1
0.496
EDJ-MED-611d11e7-7
0.496
PET-UNK-a7639856-2
0.491
PET-UNK-ee8352fa-2
0.487
EDJ-MED-d08626de-2
0.486
EDG-MED-0e5afe9d-3
0.486
PET-UNK-29afea89-2
0.486
EDJ-MED-d08626de-1
0.486
ALF-EVA-82cf4849-13
0.483
EDJ-MED-211392e3-3
0.475
MAT-POS-993cdc78-2
0.474
MAT-POS-993cdc78-1
0.474
ALP-POS-fe871b40-11
0.474
PET-UNK-7bb24635-1
0.470
EDG-MED-10fcb19e-5
0.467
PET-UNK-b38839dc-19
0.466
ALF-EVA-82cf4849-4
0.465
PET-UNK-329a9ce9-8
0.463
ALF-EVA-82cf4849-12
0.463
EDG-MED-10fcb19e-2
0.462
ALP-POS-fe871b40-7
0.460
PET-UNK-c0891748-1
0.460
EDJ-MED-37aac4bd-5
0.460
PET-UNK-c0891748-7
0.460
EDJ-MED-93390d0c-3
0.458
PET-UNK-5d7c542f-1
0.457
ALP-POS-6f6ae286-3
0.457
MAT-POS-a5ef2d74-3
0.456
PET-UNK-f4e47ebd-17
0.456
EDJ-MED-611d11e7-10
0.456
PET-UNK-329a9ce9-2
0.454
PET-UNK-1b92fa34-6
0.452
EDJ-MED-37aac4bd-1
0.451
MAT-POS-78e1d523-3
0.451
EDJ-MED-d08626de-3
0.451
MAT-POS-78e1d523-4
0.451
EDJ-MED-d08626de-4
0.451
EDJ-MED-d08626de-5
0.451
PET-UNK-ee8352fa-3
0.449
PET-UNK-fe31e24a-4
0.449
PET-UNK-09a29654-6
0.448
EDJ-MED-1b46f08e-1
0.446
PET-UNK-b566c0b0-2
0.445
PET-UNK-f4e47ebd-20
0.444
PET-UNK-fe31e24a-8
0.442
MAT-POS-90fd5f68-28
0.441
PET-UNK-b38839dc-20
0.441
PET-UNK-f4e47ebd-18
0.441
EDJ-MED-946e547c-1
0.438