Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)CC2(C(F)(F)F)CC2)Cc2ccc(Cl)cc21 |
MW: | 523.09 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 5.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
Hetero_hetero
MAT-POS-5cd9ea36-9
0.814
PET-UNK-615ad708-5
0.812
PET-UNK-615ad708-2
0.812
PET-UNK-ff046148-1
0.812
XIA-UNK-c8ef6831-1
0.798
MAT-POS-dd1fff26-2
0.796
MAT-POS-5cd9ea36-10
0.796
MAT-POS-dd1fff26-1
0.796
PET-UNK-94036022-1
0.788
PET-UNK-94036022-8
0.788
XIA-UNK-284f966f-1
0.788
MAT-POS-dc2604c4-1
0.788
MAT-POS-e194df51-1
0.788
MAT-POS-e194df51-2
0.788
BRU-THA-d60fe444-1
0.779
MAT-POS-4223bc15-6
0.777
ALF-EVA-07677224-7
0.772
EDJ-MED-76744c27-4
0.772
MAT-POS-bf364d7a-7
0.772
MAT-POS-bf364d7a-8
0.772
JOH-SUS-07b743f6-6
0.770
PET-UNK-de87a406-1
0.768
MAT-POS-4223bc15-12
0.765
JOH-SUS-07b743f6-1
0.765
MAT-POS-dc2604c4-2
0.757
JOH-SUS-07b743f6-2
0.757
MAT-POS-5cd9ea36-8
0.757
ALF-EVA-07677224-9
0.755
JOH-SUS-07b743f6-3
0.755
MAT-POS-5c19d660-1
0.750
MAT-POS-5cd9ea36-5
0.750
MAT-POS-bf364d7a-1
0.748
EDJ-MED-4fff0a85-3
0.748
MAT-POS-bf364d7a-2
0.748
PET-UNK-af70882d-4
0.747
EDJ-MED-7f6e5b75-1
0.747
MAT-POS-4223bc15-5
0.745
MAT-POS-5cd9ea36-11
0.743
MAT-POS-777f5926-3
0.740
MAT-POS-dc2604c4-3
0.740
MAT-POS-777f5926-4
0.740
ALP-POS-07e1ed01-1
0.740
EDJ-MED-76744c27-3
0.737
MAT-POS-5cd9ea36-24
0.737
MAT-POS-5c19d660-2
0.736
ALP-POS-07e1ed01-2
0.733
MAT-POS-5c19d660-3
0.731
EDJ-MED-76744c27-5
0.730
PET-UNK-af70882d-3
0.730
MAT-POS-5cd9ea36-6
0.729
MAT-POS-bf364d7a-9
0.729
MAT-POS-bf364d7a-10
0.729
MAT-POS-5cd9ea36-12
0.728
EDJ-MED-4fff0a85-2
0.725
PET-UNK-af70882d-2
0.723
MAT-POS-bf364d7a-12
0.722
MAT-POS-5cd9ea36-7
0.722
MAT-POS-bf364d7a-11
0.722
MAT-POS-bf364d7a-6
0.718
PET-UNK-af70882d-1
0.718
ANN-CHE-e1757302-3
0.718
MAT-POS-bf364d7a-5
0.718
EDJ-MED-76744c27-1
0.718
MAT-POS-5cd9ea36-1
0.718
EDJ-MED-76744c27-6
0.716
MAT-POS-dc2604c4-4
0.716
EDJ-MED-76744c27-2
0.712
EDJ-MED-76744c27-7
0.712
MAT-POS-4223bc15-14
0.709
ANN-CHE-e1757302-1
0.709
ANN-CHE-e1757302-2
0.709
MAT-POS-4223bc15-4
0.709
ALF-EVA-0e90125c-4
0.709
MAT-POS-24589f88-3
0.708
MAT-POS-24589f88-2
0.708
MAT-POS-dd3ad2b5-4
0.708
EDJ-MED-4fff0a85-4
0.702
ANN-CHE-e1757302-5
0.702
MAT-POS-bf364d7a-3
0.702
MAT-POS-bf364d7a-4
0.702
BEN-DND-32596b04-7
0.700
PET-UNK-d61f3ea6-2
0.697
ANN-CHE-e1757302-4
0.695
ALF-EVA-0e90125c-6
0.692
MAT-POS-4223bc15-13
0.690
BRU-THA-98e973b9-1
0.690
ALF-EVA-07677224-3
0.689
MAT-POS-4223bc15-3
0.687
MAT-POS-4223bc15-1
0.687
MAT-POS-4223bc15-2
0.680
MAT-POS-5cd9ea36-17
0.676
EDJ-MED-4fff0a85-1
0.676
PET-UNK-d61f3ea6-3
0.673
ALF-EVA-0e90125c-7
0.670
EDJ-MED-1981ceba-2
0.667
ALF-EVA-07677224-2
0.667
MAT-POS-4223bc15-9
0.663
MAT-POS-61f37a1a-2
0.663
BEN-DND-32596b04-5
0.660
JOH-SUS-07b743f6-7
0.660