Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@@H]3CN(S(C)(=O)=O)Cc4cc(F)c(Cl)cc43)cncc2cn1 |
MW: | 464.07 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 101.49 |
cLogP: | 2.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-ce760d3f-3
MAT-POS-a5ef2d74-1
BEN-DND-4f474d93-1
EDJ-MED-00c1612e-1
EDJ-MED-670ad2ee-2
ADA-UCB-6c2cb422-1
MAT-POS-64942dd0-3
MAT-POS-dd3ad2b5-4
RAL-THA-2d450e86-6
PET-UNK-29afea89-2
EDJ-MED-611d11e7-10
EDJ-MED-611d11e7-12
MAT-POS-a5ef2d74-3
PET-UNK-9bf1291a-1
BEN-DND-4f474d93-2
MAT-POS-a13804f0-3
MAT-POS-b3e365b9-1
MAT-POS-bb423b95-1
MAT-POS-fc9ede84-1
PET-UNK-f4e47ebd-16
0.753
PET-UNK-f4e47ebd-11
0.722
PET-UNK-f4e47ebd-14
0.691
MAT-POS-64942dd0-2
0.684
PET-UNK-03fd2068-5
0.684
MAT-POS-64942dd0-1
0.670
MAT-POS-64942dd0-3
0.657
PET-UNK-03fd2068-6
0.644
PET-UNK-f4e47ebd-13
0.644
PET-UNK-f4e47ebd-30
0.559
EDJ-MED-1b5395f9-5
0.552
EDJ-MED-1b5395f9-4
0.552
EDJ-MED-1b5395f9-6
0.552
PET-UNK-f4e47ebd-7
0.551
EDJ-MED-1b5395f9-1
0.551
EDJ-MED-1b5395f9-2
0.551
EDJ-MED-1b5395f9-3
0.551
PET-UNK-19e211a9-7
0.547
PET-UNK-f4e47ebd-12
0.537
EDJ-MED-cf877e1d-1
0.532
PET-UNK-b38839dc-7
0.514
PET-UNK-b38839dc-8
0.505
PET-UNK-03fd2068-3
0.500
PET-UNK-f4e47ebd-26
0.491
PET-UNK-1e13ef09-3
0.486
PET-UNK-f4e47ebd-10
0.481
PET-UNK-b78139fa-2
0.473
PET-UNK-9b23ef84-3
0.473
PET-UNK-7279c968-6
0.468
FRA-DIA-6238d354-2
0.468
PET-UNK-f4e47ebd-3
0.468
PET-UNK-03fd2068-4
0.464
PET-UNK-2c6614b6-2
0.464
MAT-POS-24589f88-3
0.455
MAT-POS-dd3ad2b5-4
0.455
MAT-POS-24589f88-2
0.455
PET-UNK-f4e47ebd-9
0.446
PET-UNK-7f7e354d-4
0.434
EDJ-MED-d1555997-1
0.430
PET-UNK-9b23ef84-15
0.430
PET-UNK-9b23ef84-10
0.430
PET-UNK-f4e47ebd-23
0.427
PET-UNK-f4e47ebd-31
0.425
PET-UNK-b38839dc-10
0.425
PET-UNK-9b23ef84-7
0.418
PET-UNK-b38839dc-11
0.413
PET-UNK-b38839dc-6
0.412
EDJ-MED-d1555997-2
0.412
PET-UNK-b1ef24dc-27
0.412
EDJ-MED-841e0cf0-7
0.410
EDJ-MED-670ad2ee-9
0.410
EDJ-MED-670ad2ee-10
0.410
PET-UNK-b1ef24dc-28
0.409
PET-UNK-e274cad4-3
0.409
EDJ-MED-670ad2ee-8
0.407
EDJ-MED-841e0cf0-6
0.407
EDJ-MED-670ad2ee-7
0.407
ROB-CAM-4c532489-1
0.405
BEN-DND-a02b439d-11
0.405
PET-UNK-e274cad4-8
0.404
MAT-POS-81ae2990-3
0.403
PET-UNK-b1ef24dc-25
0.400
PET-UNK-81b485b5-13
0.400
PET-UNK-81b485b5-27
0.400
EDJ-MED-670ad2ee-5
0.398
EDJ-MED-670ad2ee-6
0.398
EDJ-MED-841e0cf0-5
0.398
PET-UNK-b1ef24dc-26
0.397
EDJ-MED-ce467fd5-2
0.395
PET-UNK-b566c0b0-3
0.395
PET-UNK-f4e47ebd-8
0.395
MAT-POS-81ae2990-6
0.394
PET-UNK-19e211a9-8
0.392
PET-UNK-19e211a9-5
0.392
BEN-DND-34fc7f90-4
0.389
PET-UNK-f4e47ebd-1
0.389
PET-UNK-1b92fa34-4
0.388
PET-UNK-f4e47ebd-28
0.385
BEN-DND-f06bfa8e-9
0.385
PET-UNK-b78139fa-11
0.385
BEN-DND-f06bfa8e-8
0.381
PET-UNK-f9b7ae87-6
0.380
BEN-DND-34fc7f90-5
0.377
ALP-POS-e6e0c683-3
0.376
BEN-DND-f06bfa8e-10
0.375
PET-UNK-f4e47ebd-18
0.375
PET-UNK-19e211a9-9
0.374
PET-UNK-af70882d-4
0.374
PET-UNK-03fd2068-10
0.374
BEN-DND-f06bfa8e-7
0.372
BEN-DND-a02b439d-3
0.372
MAT-POS-5cd9ea36-16
0.371
EDJ-MED-611d11e7-3
0.370
MAT-POS-4223bc15-1
0.370
MAT-POS-4223bc15-6
0.370
EDJ-MED-611d11e7-9
0.370
MAT-POS-96f51285-3
0.370
MAT-POS-96f51285-4
0.370
MAT-POS-5cd9ea36-17
0.369
PET-UNK-4b4f2bb7-2
0.369