Molecular Properties | |
SMILES: | CC(C)(F)CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1 |
MW: | 475.11 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 4.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-7f6e5b75-1
0.868
EDJ-MED-4fff0a85-2
0.840
MAT-POS-bf364d7a-5
0.832
EDJ-MED-76744c27-1
0.832
MAT-POS-5cd9ea36-1
0.832
MAT-POS-bf364d7a-6
0.832
PET-UNK-af70882d-1
0.832
EDJ-MED-76744c27-2
0.823
EDJ-MED-76744c27-7
0.823
MAT-POS-4223bc15-6
0.822
BRU-THA-d60fe444-1
0.804
EDJ-MED-76744c27-5
0.789
PET-UNK-af70882d-3
0.771
PET-UNK-af70882d-4
0.771
MAT-POS-4223bc15-5
0.768
ALP-POS-395d3f9b-1
0.768
EDJ-MED-76744c27-3
0.760
MAT-POS-5cd9ea36-24
0.760
PET-UNK-d61f3ea6-2
0.755
MAT-POS-dd3ad2b5-4
0.750
MAT-POS-24589f88-3
0.750
MAT-POS-24589f88-2
0.750
MAT-POS-4223bc15-4
0.747
ANN-CHE-e1757302-1
0.747
ANN-CHE-e1757302-2
0.747
MAT-POS-5cd9ea36-9
0.747
MAT-POS-5cd9ea36-10
0.747
MAT-POS-5cd9ea36-11
0.747
MAT-POS-dd1fff26-1
0.747
MAT-POS-dd1fff26-2
0.747
ALF-EVA-0e90125c-4
0.747
PET-UNK-615ad708-5
0.745
PET-UNK-af70882d-2
0.745
PET-UNK-615ad708-2
0.745
PET-UNK-ff046148-1
0.745
MAT-POS-dc2604c4-4
0.737
EDJ-MED-76744c27-6
0.737
XIA-UNK-c8ef6831-1
0.733
MAT-POS-4223bc15-14
0.730
MAT-POS-4223bc15-1
0.726
ALF-EVA-07677224-9
0.725
MAT-POS-bf364d7a-7
0.725
MAT-POS-bf364d7a-8
0.725
ALF-EVA-07677224-7
0.725
EDJ-MED-76744c27-4
0.725
MAT-POS-dc2604c4-1
0.723
ANN-CHE-e1757302-5
0.723
ANN-CHE-e1757302-3
0.723
MAT-POS-e194df51-1
0.723
MAT-POS-e194df51-2
0.723
JOH-SUS-07b743f6-6
0.723
PET-UNK-94036022-1
0.723
MAT-POS-bf364d7a-3
0.723
PET-UNK-94036022-8
0.723
MAT-POS-bf364d7a-4
0.723
XIA-UNK-284f966f-1
0.723
EDJ-MED-4fff0a85-4
0.723
MAT-POS-4223bc15-2
0.719
EDJ-MED-4fff0a85-3
0.718
MAT-POS-bf364d7a-1
0.718
JOH-SUS-07b743f6-1
0.718
MAT-POS-bf364d7a-2
0.718
ANN-CHE-e1757302-4
0.716
MAT-POS-5cd9ea36-12
0.716
MAT-POS-5cd9ea36-17
0.714
BEN-DND-32596b04-5
0.713
JOH-SUS-07b743f6-2
0.712
MAT-POS-dc2604c4-2
0.712
BRU-THA-98e973b9-1
0.711
PET-UNK-d61f3ea6-3
0.710
ALF-EVA-07677224-3
0.710
JOH-SUS-07b743f6-3
0.709
MAT-POS-4223bc15-3
0.708
MAT-POS-5cd9ea36-4
0.707
ALP-POS-07e1ed01-2
0.705
ALF-EVA-0e90125c-7
0.705
MAT-POS-4223bc15-12
0.702
MAT-POS-5cd9ea36-19
0.700
MAT-POS-777f5926-4
0.695
ALP-POS-07e1ed01-1
0.695
ALF-EVA-0e90125c-6
0.695
EDJ-MED-4fff0a85-1
0.695
MAT-POS-777f5926-3
0.695
MAT-POS-5cd9ea36-8
0.695
MAT-POS-dc2604c4-3
0.695
MAT-POS-4223bc15-13
0.694
MAT-POS-5cd9ea36-16
0.693
MAT-POS-4223bc15-29
0.690
BEN-DND-32596b04-9
0.689
MAT-POS-5cd9ea36-23
0.689
MAT-POS-5cd9ea36-5
0.689
EDJ-MED-1981ceba-2
0.687
BEN-DND-32596b04-7
0.687
MAT-POS-5cd9ea36-20
0.683
MAT-POS-4223bc15-7
0.680
MAT-POS-5cd9ea36-2
0.680
MAT-POS-4223bc15-15
0.680
PET-UNK-d61f3ea6-1
0.673
ALF-EVA-07677224-2
0.670
EDJ-MED-1981ceba-3
0.670