Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@@H]3CN(S(C)(=O)=O)Cc4ccc(Cl)cc43)cncc2cc1F |
MW: | 463.08 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 3.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MIC-UNK-ea4eb352-1
ALP-POS-f1807566-3
EDJ-MED-00c1612e-1
ADA-UCB-6c2cb422-1
PET-UNK-7f7e354d-7
MAT-POS-4223bc15-2
JIN-POS-6dc588a4-22
PET-UNK-88d26eaf-1
MAT-POS-24589f88-3
PET-UNK-29afea89-2
MAR-UCB-fd2e172f-41
PET-UNK-9bf1291a-1
MIC-UNK-91acba05-1
MAT-POS-b3e365b9-1
EDJ-MED-b7309adf-2
MIC-UNK-91acba05-3
JIN-POS-6dc588a4-11
PET-UNK-b38839dc-10
0.837
PET-UNK-b38839dc-8
0.793
PET-UNK-19e211a9-5
0.755
PET-UNK-03fd2068-3
0.702
PET-UNK-f4e47ebd-12
0.691
PET-UNK-03fd2068-4
0.688
PET-UNK-f4e47ebd-11
0.684
PET-UNK-b38839dc-11
0.673
MAT-POS-dd3ad2b5-4
0.663
MAT-POS-24589f88-2
0.663
MAT-POS-24589f88-3
0.663
FRA-DIA-6238d354-2
0.660
PET-UNK-f4e47ebd-10
0.646
PET-UNK-f4e47ebd-9
0.633
PET-UNK-7f7e354d-4
0.600
EDJ-MED-d1555997-1
0.594
EDJ-MED-670ad2ee-8
0.592
EDJ-MED-841e0cf0-6
0.592
EDJ-MED-670ad2ee-7
0.592
PET-UNK-b1ef24dc-25
0.590
PET-UNK-b1ef24dc-27
0.590
PET-UNK-b38839dc-6
0.590
PET-UNK-b38839dc-22
0.585
PET-UNK-b1ef24dc-28
0.584
PET-UNK-e274cad4-3
0.584
EDJ-MED-670ad2ee-9
0.583
EDJ-MED-670ad2ee-10
0.583
EDJ-MED-841e0cf0-7
0.583
PET-UNK-e274cad4-8
0.580
MAT-POS-81ae2990-3
0.578
EDJ-MED-d1555997-2
0.574
PET-UNK-19e211a9-6
0.570
PET-UNK-b1ef24dc-26
0.569
EDJ-MED-841e0cf0-5
0.567
EDJ-MED-670ad2ee-5
0.567
EDJ-MED-670ad2ee-6
0.567
ROB-CAM-4c532489-1
0.563
MAT-POS-81ae2990-6
0.562
PET-UNK-b38839dc-4
0.558
MAT-POS-4223bc15-2
0.558
PET-UNK-b38839dc-13
0.552
PET-UNK-7279c968-8
0.552
BEN-DND-32596b04-8
0.550
EDJ-MED-1981ceba-3
0.550
MAT-POS-4223bc15-1
0.548
MAT-POS-4223bc15-6
0.548
PET-UNK-b38839dc-16
0.547
BEN-DND-32596b04-7
0.547
PET-UNK-c6bcc80b-1
0.547
PET-UNK-c6bcc80b-8
0.547
PET-UNK-af70882d-4
0.546
PET-UNK-ff046148-4
0.545
MAT-POS-5cd9ea36-10
0.545
MAT-POS-dd1fff26-1
0.545
MAT-POS-dd1fff26-2
0.545
PET-UNK-d61f3ea6-2
0.543
PET-UNK-ff046148-2
0.541
EDJ-MED-be9e6f63-1
0.539
EDJ-MED-ede277f6-10
0.539
BEN-DND-f06bfa8e-10
0.538
BRU-THA-98e973b9-1
0.538
BRU-THA-d60fe444-1
0.538
ALP-POS-6f6ae286-6
0.536
BEN-DND-f06bfa8e-3
0.536
PET-UNK-19e211a9-9
0.534
BEN-DND-f06bfa8e-8
0.533
MAT-POS-4223bc15-3
0.533
BEN-DND-f06bfa8e-7
0.533
EDJ-MED-1981ceba-2
0.533
MAT-POS-5cd9ea36-19
0.532
MAT-POS-4223bc15-4
0.532
MAT-POS-4223bc15-11
0.532
MAT-POS-81ae2990-9
0.531
EDJ-MED-76744c27-4
0.531
ALF-EVA-07677224-7
0.531
MAT-POS-bf364d7a-7
0.531
MAT-POS-bf364d7a-8
0.531
MAT-POS-b4d6b7fc-9
0.531
MAT-POS-5c19d660-1
0.530
PET-UNK-19e211a9-7
0.530
ALP-POS-e6e0c683-3
0.529
MAT-POS-4223bc15-5
0.528
MAT-POS-5cd9ea36-17
0.528
PET-UNK-f4e47ebd-16
0.527
EDJ-MED-7889e8da-4
0.527
EDJ-MED-be9e6f63-4
0.527
MAT-POS-5cd9ea36-16
0.527
EDJ-MED-7889e8da-2
0.526
EDJ-MED-be9e6f63-2
0.526
PET-UNK-ff046148-3
0.526
EDJ-MED-be9e6f63-3
0.526
EDJ-MED-378a25ea-25
0.526
EDJ-MED-ede277f6-12
0.526
MAT-POS-c7726e07-7
0.526
MAT-POS-c7726e07-8
0.526
BEN-DND-f06bfa8e-9
0.524
MAT-POS-4223bc15-13
0.523
MAT-POS-64942dd0-2
0.523
PET-UNK-03fd2068-5
0.523
MAT-POS-5cd9ea36-4
0.523