Molecular Properties | |
SMILES: | N#CC(F)(F)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 476.05 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 103.16 |
cLogP: | 3.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-dd3ad2b5-4
PET-UNK-d61f3ea6-3
0.809
PET-UNK-d61f3ea6-2
0.802
MAT-POS-dd3ad2b5-4
0.739
MAT-POS-24589f88-2
0.739
MAT-POS-24589f88-3
0.739
MAT-POS-5cd9ea36-24
0.732
BRU-THA-d60fe444-1
0.719
BRU-THA-98e973b9-1
0.719
MAT-POS-4223bc15-1
0.716
MAT-POS-4223bc15-3
0.716
MAT-POS-4223bc15-6
0.716
BEN-DND-32596b04-9
0.713
PET-UNK-af70882d-1
0.713
MAT-POS-bf364d7a-5
0.713
EDJ-MED-76744c27-1
0.713
MAT-POS-5cd9ea36-1
0.713
JOH-SUS-07b743f6-4
0.713
MAT-POS-bf364d7a-6
0.713
PET-UNK-de87a406-1
0.710
MAT-POS-4223bc15-2
0.708
MAT-POS-4223bc15-7
0.704
JOH-SUS-07b743f6-5
0.703
JOH-SUS-07b743f6-7
0.703
MAT-POS-4223bc15-13
0.701
EDJ-MED-1981ceba-4
0.700
JOH-SUS-07b743f6-3
0.699
MAT-POS-dc2604c4-1
0.696
MAT-POS-e194df51-1
0.696
MAT-POS-e194df51-2
0.696
JOH-SUS-07b743f6-6
0.696
EDJ-MED-1981ceba-2
0.694
BEN-DND-32596b04-7
0.694
ALF-EVA-07677224-2
0.693
MAT-POS-dc2604c4-4
0.693
EDJ-MED-76744c27-6
0.693
PET-UNK-af70882d-4
0.690
EDJ-MED-7f6e5b75-1
0.690
ALP-POS-395d3f9b-1
0.689
MAT-POS-4223bc15-5
0.687
MAT-POS-4223bc15-15
0.687
MAT-POS-5cd9ea36-2
0.687
MAT-POS-5cd9ea36-17
0.687
MAT-POS-4223bc15-10
0.686
MAT-POS-4223bc15-29
0.680
PET-UNK-d61f3ea6-1
0.680
EDJ-MED-76744c27-3
0.680
MAT-POS-5cd9ea36-4
0.680
DAR-DIA-5e50e037-1
0.680
EDJ-MED-1981ceba-1
0.676
MAT-POS-4223bc15-12
0.676
JOH-SUS-07b743f6-1
0.676
MAT-POS-4223bc15-9
0.673
MAT-POS-61f37a1a-2
0.673
MAT-POS-5cd9ea36-20
0.673
EDJ-MED-76744c27-5
0.673
PET-UNK-af70882d-3
0.673
MAT-POS-5cd9ea36-3
0.673
MAT-POS-5cd9ea36-19
0.673
MAT-POS-5cd9ea36-18
0.673
MAT-POS-4223bc15-8
0.670
MAT-POS-4223bc15-11
0.670
BEN-DND-32596b04-1
0.670
BEN-DND-32596b04-5
0.670
ALF-EVA-0e90125c-5
0.670
EDJ-MED-4fff0a85-2
0.670
MAT-POS-5cd9ea36-9
0.670
MAT-POS-5cd9ea36-11
0.670
ALP-POS-07e1ed01-1
0.670
MAT-POS-dc2604c4-3
0.670
MAT-POS-777f5926-4
0.670
JOH-SUS-07b743f6-2
0.670
MAT-POS-777f5926-3
0.670
PET-UNK-615ad708-5
0.667
PET-UNK-ff046148-1
0.667
PET-UNK-af70882d-2
0.667
PET-UNK-615ad708-2
0.667
MAT-POS-5cd9ea36-16
0.667
ALP-POS-07e1ed01-2
0.664
MAT-POS-5cd9ea36-5
0.664
MAT-POS-bf364d7a-3
0.663
ALF-EVA-07677224-4
0.663
BEN-DND-32596b04-3
0.663
ALF-EVA-0e90125c-8
0.663
EDJ-MED-4fff0a85-4
0.663
MAT-POS-bf364d7a-4
0.663
PET-UNK-94036022-1
0.663
XIA-UNK-284f966f-1
0.663
PET-UNK-94036022-8
0.663
MAT-POS-5cd9ea36-6
0.661
MAT-POS-bf364d7a-9
0.661
MAT-POS-bf364d7a-10
0.661
MAT-POS-5cd9ea36-21
0.660
EDJ-MED-1981ceba-5
0.660
EDJ-MED-1981ceba-3
0.660
BEN-DND-32596b04-2
0.660
BEN-DND-32596b04-8
0.660
EDJ-MED-76744c27-7
0.657
ANN-CHE-e1757302-4
0.657
XIA-UNK-c8ef6831-1
0.657
ALF-EVA-07677224-10
0.657