Molecular Properties | |
SMILES: | COc1cc2cncc(NC(=O)[C@@H]3CN(S(C)(=O)=O)Cc4cc(F)c(Cl)cc43)c2cn1 |
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-15
0.753
PET-UNK-f4e47ebd-12
0.729
PET-UNK-03fd2068-6
0.694
PET-UNK-f4e47ebd-13
0.677
MAT-POS-64942dd0-2
0.667
PET-UNK-03fd2068-5
0.667
PET-UNK-f4e47ebd-14
0.657
MAT-POS-64942dd0-3
0.657
MAT-POS-64942dd0-1
0.637
PET-UNK-f4e47ebd-31
0.569
PET-UNK-f4e47ebd-8
0.551
EDJ-MED-cf877e1d-1
0.546
PET-UNK-f4e47ebd-11
0.546
EDJ-MED-1b5395f9-4
0.538
EDJ-MED-1b5395f9-6
0.538
EDJ-MED-1b5395f9-5
0.538
PET-UNK-b38839dc-7
0.527
EDJ-MED-1b5395f9-1
0.523
EDJ-MED-1b5395f9-2
0.523
EDJ-MED-1b5395f9-3
0.523
PET-UNK-03fd2068-4
0.519
PET-UNK-b38839dc-8
0.518
PET-UNK-03fd2068-3
0.500
PET-UNK-f4e47ebd-27
0.500
PET-UNK-1e13ef09-4
0.486
PET-UNK-f4e47ebd-9
0.486
PET-UNK-b78139fa-3
0.473
PET-UNK-7f7e354d-4
0.473
PET-UNK-9b23ef84-3
0.473
PET-UNK-f4e47ebd-4
0.468
PET-UNK-f4e47ebd-10
0.468
MAT-POS-dd3ad2b5-4
0.468
MAT-POS-24589f88-2
0.468
MAT-POS-24589f88-3
0.468
PET-UNK-2c6614b6-3
0.464
PET-UNK-b1ef24dc-28
0.459
FRA-DIA-6238d354-2
0.455
PET-UNK-b38839dc-10
0.449
EDJ-MED-d1555997-1
0.442
PET-UNK-f4e47ebd-30
0.442
PET-UNK-b38839dc-11
0.437
PET-UNK-f4e47ebd-22
0.431
PET-UNK-9b23ef84-10
0.430
PET-UNK-9b23ef84-15
0.430
PET-UNK-b1ef24dc-27
0.425
PET-UNK-b38839dc-6
0.425
PET-UNK-b1ef24dc-26
0.421
EDJ-MED-841e0cf0-6
0.419
EDJ-MED-670ad2ee-8
0.419
EDJ-MED-670ad2ee-7
0.419
PET-UNK-9b23ef84-7
0.418
ROB-CAM-4c532489-1
0.417
PET-UNK-e274cad4-8
0.416
PET-UNK-19e211a9-7
0.414
PET-UNK-03fd2068-11
0.413
PET-UNK-b1ef24dc-25
0.412
EDJ-MED-d1555997-2
0.412
EDJ-MED-670ad2ee-6
0.410
EDJ-MED-670ad2ee-10
0.410
EDJ-MED-841e0cf0-7
0.410
EDJ-MED-841e0cf0-5
0.410
EDJ-MED-670ad2ee-5
0.410
EDJ-MED-670ad2ee-9
0.410
PET-UNK-ff046148-4
0.410
PET-UNK-e274cad4-3
0.409
PET-UNK-81b485b5-28
0.403
PET-UNK-81b485b5-14
0.403
MAT-POS-81ae2990-3
0.403
PET-UNK-19e211a9-5
0.403
PET-UNK-b566c0b0-4
0.402
EDJ-MED-ede277f6-1
0.398
EDJ-MED-ede277f6-10
0.398
PET-UNK-7f7e354d-5
0.398
PET-UNK-ff046148-3
0.397
BEN-DND-f06bfa8e-9
0.397
PET-UNK-ff046148-2
0.395
PET-UNK-f4e47ebd-7
0.395
MAT-POS-81ae2990-6
0.394
BEN-DND-f06bfa8e-8
0.393
ALP-POS-6f6ae286-6
0.392
BEN-DND-f06bfa8e-3
0.392
MAT-POS-5c19d660-1
0.391
MAT-POS-4223bc15-2
0.390
PET-UNK-f4e47ebd-2
0.389
PET-UNK-b78139fa-12
0.388
ALP-POS-e6e0c683-3
0.388
EDJ-MED-be9e6f63-1
0.388
BEN-DND-f06bfa8e-10
0.387
EDJ-MED-be9e6f63-2
0.386
EDJ-MED-7889e8da-2
0.386
MIC-UNK-ea4eb352-10
0.385
EDJ-MED-841e0cf0-2
0.385
EDJ-MED-670ad2ee-2
0.385
PET-UNK-f4e47ebd-29
0.385
PET-UNK-03fd2068-10
0.385
PET-UNK-af70882d-4
0.385
MAT-POS-5cd9ea36-19
0.385
PET-UNK-f4e47ebd-28
0.385
EDJ-MED-ce467fd5-2
0.384
PET-UNK-b1ef24dc-32
0.383