Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)CF)Cc2ccc(Cl)cc21 |
MW: | 433.07 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.37 |
cLogP: | 3.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-24589f88-3
MAT-POS-4223bc15-6
0.859
EDJ-MED-76744c27-3
0.831
MAT-POS-5cd9ea36-24
0.831
PET-UNK-af70882d-4
0.822
MAT-POS-4223bc15-5
0.820
MAT-POS-5cd9ea36-9
0.815
MAT-POS-5cd9ea36-11
0.815
PET-UNK-de87a406-1
0.804
PET-UNK-af70882d-3
0.802
EDJ-MED-76744c27-5
0.802
EDJ-MED-7f6e5b75-1
0.802
XIA-UNK-c8ef6831-1
0.798
MAT-POS-4223bc15-14
0.796
PET-UNK-615ad708-2
0.793
PET-UNK-ff046148-1
0.793
PET-UNK-615ad708-5
0.793
PET-UNK-af70882d-2
0.793
EDJ-MED-4fff0a85-4
0.787
MAT-POS-bf364d7a-3
0.787
MAT-POS-bf364d7a-4
0.787
ANN-CHE-e1757302-5
0.787
EDJ-MED-76744c27-6
0.785
MAT-POS-dc2604c4-4
0.785
MAT-POS-dd3ad2b5-4
0.782
MAT-POS-24589f88-2
0.782
MAT-POS-24589f88-3
0.782
MAT-POS-5cd9ea36-12
0.779
ALP-POS-395d3f9b-1
0.779
MAT-POS-5cd9ea36-10
0.777
MAT-POS-4223bc15-4
0.777
EDJ-MED-4fff0a85-2
0.777
MAT-POS-dd1fff26-1
0.777
ANN-CHE-e1757302-1
0.777
ANN-CHE-e1757302-2
0.777
ALF-EVA-0e90125c-4
0.777
MAT-POS-dd1fff26-2
0.777
PET-UNK-af70882d-1
0.768
EDJ-MED-76744c27-1
0.768
MAT-POS-5cd9ea36-1
0.768
MAT-POS-e194df51-1
0.768
MAT-POS-bf364d7a-5
0.768
JOH-SUS-07b743f6-6
0.768
MAT-POS-bf364d7a-6
0.768
ANN-CHE-e1757302-3
0.768
PET-UNK-94036022-1
0.768
XIA-UNK-284f966f-1
0.768
MAT-POS-dc2604c4-1
0.768
MAT-POS-e194df51-2
0.768
PET-UNK-94036022-8
0.768
JOH-SUS-07b743f6-1
0.763
EDJ-MED-76744c27-2
0.760
EDJ-MED-76744c27-7
0.760
ANN-CHE-e1757302-4
0.760
BRU-THA-98e973b9-1
0.758
MAT-POS-4223bc15-1
0.756
MAT-POS-4223bc15-3
0.756
EDJ-MED-4fff0a85-1
0.755
JOH-SUS-07b743f6-2
0.755
ALF-EVA-07677224-7
0.753
ALF-EVA-07677224-9
0.753
JOH-SUS-07b743f6-3
0.753
MAT-POS-bf364d7a-7
0.753
MAT-POS-bf364d7a-8
0.753
EDJ-MED-76744c27-4
0.753
MAT-POS-4223bc15-2
0.747
PET-UNK-d61f3ea6-2
0.747
MAT-POS-4223bc15-12
0.745
EDJ-MED-4fff0a85-3
0.745
MAT-POS-bf364d7a-1
0.745
MAT-POS-bf364d7a-2
0.745
MAT-POS-5cd9ea36-17
0.742
MAT-POS-4223bc15-13
0.739
ALF-EVA-0e90125c-6
0.737
MAT-POS-5cd9ea36-8
0.737
MAT-POS-777f5926-3
0.737
MAT-POS-777f5926-4
0.737
MAT-POS-dc2604c4-3
0.737
MAT-POS-dc2604c4-2
0.737
ALP-POS-07e1ed01-1
0.737
BEN-DND-32596b04-7
0.731
EDJ-MED-1981ceba-2
0.731
ALF-EVA-0e90125c-7
0.730
MAT-POS-5cd9ea36-5
0.730
ALP-POS-07e1ed01-2
0.730
MAT-POS-4223bc15-7
0.723
MAT-POS-4223bc15-15
0.723
MAT-POS-5cd9ea36-2
0.723
ALF-EVA-07677224-3
0.719
MAT-POS-5cd9ea36-16
0.719
MAT-POS-4223bc15-29
0.716
MAT-POS-5cd9ea36-4
0.716
PET-UNK-d61f3ea6-1
0.716
MAT-POS-5cd9ea36-23
0.714
ALF-EVA-07677224-2
0.711
MAT-POS-5cd9ea36-6
0.709
MAT-POS-bf364d7a-9
0.709
MAT-POS-bf364d7a-10
0.709
MAT-POS-5cd9ea36-3
0.708
MAT-POS-5cd9ea36-19
0.708
MAT-POS-61f37a1a-2
0.708