Molecular Properties | |
SMILES: | COc1cc2cncc(NC(=O)[C@@H]3CN(S(C)(=O)=O)Cc4ccc(Cl)cc43)c2cn1 |
MW: | 446.08 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 101.49 |
cLogP: | 2.79 |
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-11
0.753
PET-UNK-f4e47ebd-16
0.729
PET-UNK-b38839dc-8
0.698
PET-UNK-b38839dc-7
0.691
PET-UNK-03fd2068-4
0.684
PET-UNK-f4e47ebd-9
0.681
PET-UNK-03fd2068-3
0.663
MAT-POS-dd3ad2b5-4
0.660
PET-UNK-f4e47ebd-10
0.660
MAT-POS-24589f88-2
0.660
MAT-POS-24589f88-3
0.660
PET-UNK-7f7e354d-4
0.646
PET-UNK-b1ef24dc-28
0.646
FRA-DIA-6238d354-2
0.639
PET-UNK-1e13ef09-4
0.626
PET-UNK-b38839dc-6
0.602
PET-UNK-b1ef24dc-27
0.602
PET-UNK-b1ef24dc-26
0.596
PET-UNK-f4e47ebd-27
0.592
PET-UNK-e274cad4-8
0.592
PET-UNK-b38839dc-10
0.590
PET-UNK-b38839dc-11
0.590
EDJ-MED-d1555997-2
0.586
PET-UNK-b1ef24dc-25
0.586
PET-UNK-e274cad4-3
0.580
ROB-CAM-4c532489-1
0.574
EDJ-MED-d1555997-1
0.574
PET-UNK-19e211a9-7
0.566
PET-UNK-b78139fa-3
0.564
PET-UNK-f4e47ebd-4
0.559
EDJ-MED-670ad2ee-7
0.558
EDJ-MED-670ad2ee-8
0.558
EDJ-MED-841e0cf0-6
0.558
PET-UNK-2c6614b6-3
0.553
MAT-POS-4223bc15-2
0.553
BEN-DND-f06bfa8e-9
0.549
EDJ-MED-841e0cf0-5
0.548
EDJ-MED-841e0cf0-7
0.548
EDJ-MED-670ad2ee-5
0.548
EDJ-MED-670ad2ee-6
0.548
EDJ-MED-670ad2ee-9
0.548
EDJ-MED-670ad2ee-10
0.548
PET-UNK-7f7e354d-5
0.548
BEN-DND-f06bfa8e-8
0.544
MAT-POS-4223bc15-1
0.544
MAT-POS-4223bc15-3
0.544
MAT-POS-4223bc15-6
0.544
PET-UNK-b1ef24dc-32
0.543
PET-UNK-af70882d-4
0.542
MAT-POS-5cd9ea36-19
0.542
PET-UNK-ff046148-4
0.541
ALP-POS-e6e0c683-3
0.539
PET-UNK-d61f3ea6-2
0.538
MAT-POS-5cd9ea36-16
0.537
PET-UNK-f4e47ebd-15
0.537
EDJ-MED-be9e6f63-1
0.535
EDJ-MED-1981ceba-3
0.532
MAT-POS-81ae2990-3
0.532
BEN-DND-32596b04-7
0.528
MAT-POS-5cd9ea36-20
0.528
MAT-POS-dd1fff26-1
0.527
MAT-POS-5cd9ea36-10
0.527
MAT-POS-4223bc15-4
0.527
MAT-POS-dd1fff26-2
0.527
ALF-EVA-07677224-6
0.527
MAT-POS-5c19d660-1
0.526
PET-UNK-158bee2a-16
0.526
PET-UNK-19e211a9-5
0.526
MAT-POS-5cd9ea36-17
0.523
EDJ-MED-be9e6f63-4
0.523
EDJ-MED-7889e8da-4
0.523
PET-UNK-d61f3ea6-3
0.523
PET-UNK-ff046148-2
0.523
PET-UNK-ff046148-3
0.522
EDJ-MED-e18764cb-3
0.522
MAT-POS-51135489-1
0.522
MAT-POS-af1eef35-2
0.522
EDJ-MED-ede277f6-1
0.522
EDJ-MED-ede277f6-10
0.522
EDJ-MED-ede277f6-12
0.522
EDJ-MED-ede277f6-2
0.522
PET-UNK-158bee2a-15
0.521
MAT-POS-4223bc15-13
0.519
BEN-DND-f06bfa8e-10
0.519
BRU-THA-d60fe444-1
0.519
BRU-THA-98e973b9-1
0.519
MAT-POS-5cd9ea36-4
0.519
MAT-POS-4223bc15-29
0.519
BEN-DND-32596b04-8
0.518
PET-UNK-f4e47ebd-31
0.518
ALP-POS-6f6ae286-6
0.518
BEN-DND-f06bfa8e-3
0.518
EDJ-MED-76744c27-7
0.518
EDJ-MED-76744c27-2
0.518
MAT-POS-81ae2990-6
0.518
MAT-POS-5cd9ea36-22
0.518
EDJ-MED-378a25ea-9
0.518
EDJ-MED-7889e8da-6
0.518
PET-UNK-158bee2a-14
0.516
BEN-DND-f06bfa8e-7
0.514