Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3sccc23)CCOc2c(F)cc(Cl)cc21 |
MW: | 392.04 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 4.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
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-81b485b5-18
1.000
PET-UNK-81b485b5-28
0.677
PET-UNK-81b485b5-14
0.677
PET-UNK-81b485b5-6
0.674
PET-UNK-81b485b5-20
0.674
PET-UNK-81b485b5-1
0.670
PET-UNK-81b485b5-5
0.670
PET-UNK-81b485b5-15
0.670
PET-UNK-81b485b5-19
0.670
MAR-UCB-fd2e172f-24
0.656
PET-UNK-0df12184-5
0.656
PET-UNK-81b485b5-7
0.649
PET-UNK-81b485b5-21
0.649
PET-UNK-81b485b5-27
0.636
PET-UNK-81b485b5-13
0.636
PET-UNK-81b485b5-26
0.624
PET-UNK-81b485b5-12
0.624
PET-UNK-81b485b5-8
0.620
PET-UNK-81b485b5-22
0.620
PET-UNK-81b485b5-9
0.606
PET-UNK-81b485b5-23
0.606
PET-UNK-81b485b5-10
0.602
PET-UNK-81b485b5-24
0.602
PET-UNK-81b485b5-25
0.594
PET-UNK-81b485b5-11
0.594
PET-UNK-81b485b5-2
0.586
PET-UNK-81b485b5-16
0.586
PET-UNK-81b485b5-3
0.574
PET-UNK-81b485b5-17
0.574
PET-UNK-ab76d8f6-6
0.566
PET-UNK-f9b7ae87-3
0.529
PET-UNK-c65ea24c-18
0.529
MAT-POS-932d1078-3
0.505
MAT-POS-932d1078-2
0.505
EDJ-MED-37aac4bd-4
0.505
PET-UNK-c65ea24c-6
0.505
PET-UNK-c65ea24c-12
0.486
PET-UNK-0df12184-1
0.476
EDJ-MED-ee742daa-3
0.476
ALP-POS-fe871b40-3
0.472
PET-UNK-5d7c542f-1
0.450
ALP-POS-6f6ae286-3
0.450
MAR-UCB-fd2e172f-43
0.445
MAR-UCB-fd2e172f-28
0.441
PET-UNK-f4e47ebd-19
0.436
MAT-POS-ec6d90b7-4
0.435
EDJ-MED-611d11e7-4
0.435
MAT-POS-a5ef2d74-2
0.435
PET-UNK-b38839dc-19
0.432
MAR-UCB-fd2e172f-31
0.431
PET-UNK-0df12184-2
0.430
PET-UNK-f4e47ebd-21
0.427
EDJ-MED-d08626de-1
0.426
EDG-MED-0e5afe9d-3
0.426
EDJ-MED-d08626de-2
0.426
PET-UNK-29afea89-2
0.426
MAT-POS-a5ef2d74-3
0.422
PET-UNK-f4e47ebd-17
0.422
EDJ-MED-611d11e7-10
0.422
PET-UNK-03fd2068-8
0.420
PET-UNK-ab76d8f6-2
0.418
MAR-UCB-fd2e172f-41
0.417
PET-UNK-b38839dc-18
0.417
PET-UNK-f4e47ebd-22
0.416
PET-UNK-ee8352fa-2
0.416
MAT-POS-993cdc78-2
0.414
ALP-POS-fe871b40-11
0.414
MAT-POS-993cdc78-1
0.414
PET-UNK-c0891748-7
0.413
PET-UNK-c0891748-1
0.413
ALP-POS-fe871b40-7
0.413
EDJ-MED-37aac4bd-5
0.413
ALP-POS-93b3621f-4
0.412
EDJ-MED-ee742daa-1
0.411
PET-UNK-7f7e354d-1
0.411
MAT-POS-96f51285-1
0.411
MAT-POS-24589f88-1
0.411
EDJ-MED-611d11e7-7
0.411
PET-UNK-f4e47ebd-20
0.411
PET-UNK-a7639856-2
0.409
PET-UNK-f4e47ebd-18
0.407
PET-UNK-7f7e354d-6
0.405
ALF-EVA-82cf4849-11
0.405
PET-UNK-5d7c542f-2
0.404
PET-UNK-03fd2068-7
0.402
ALP-POS-93b3621f-3
0.400
EDJ-MED-93390d0c-3
0.400
PET-UNK-ee8352fa-1
0.398
MIC-UNK-ea4eb352-12
0.396
EDJ-MED-611d11e7-1
0.395
MAT-POS-96f51285-2
0.395
PET-UNK-4b4f2bb7-5
0.395
PET-UNK-b38839dc-20
0.395
ALP-POS-6f6ae286-2
0.395
MAR-UCB-fd2e172f-13
0.395
EDJ-MED-6bf93aa8-1
0.393
EDG-MED-10fcb19e-2
0.393
PET-UNK-a7639856-3
0.392
PET-UNK-ee8352fa-3
0.391
MAT-POS-78e1d523-3
0.391