Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)c2ccc(F)s2)Cc2ccc(Cl)cc21 |
MW: | 501.04 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.37 |
cLogP: | 5.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
MAT-POS-dd3ad2b5-4
ALF-EVA-07677224-6
0.784
ALF-EVA-07677224-1
0.740
MAT-POS-dd3ad2b5-4
0.731
MAT-POS-24589f88-2
0.731
MAT-POS-24589f88-3
0.731
ALF-EVA-0e90125c-5
0.730
MAT-POS-4223bc15-30
0.713
BRU-THA-d60fe444-1
0.711
BRU-THA-98e973b9-1
0.711
MAT-POS-4223bc15-1
0.708
MAT-POS-4223bc15-3
0.708
MAT-POS-4223bc15-6
0.708
XIA-UNK-50bd045a-1
0.706
ALF-EVA-0e90125c-8
0.706
MAT-POS-4223bc15-2
0.701
PET-UNK-d61f3ea6-2
0.701
MAT-POS-4223bc15-31
0.699
ALF-EVA-07677224-5
0.699
ALF-EVA-07677224-10
0.699
MAT-POS-4223bc15-7
0.697
MAT-POS-4223bc15-13
0.694
PET-UNK-d61f3ea6-3
0.693
ALF-EVA-07677224-3
0.693
ALF-EVA-07677224-8
0.692
MAT-POS-5cd9ea36-24
0.690
EDJ-MED-76744c27-3
0.690
EDJ-MED-1981ceba-2
0.687
BEN-DND-32596b04-7
0.687
BEN-DND-32596b04-8
0.686
MAT-POS-4223bc15-5
0.680
MAT-POS-4223bc15-15
0.680
MAT-POS-5cd9ea36-2
0.680
MAT-POS-5cd9ea36-17
0.680
JOH-SUS-07b743f6-5
0.680
EDJ-MED-1981ceba-4
0.676
MAT-POS-4223bc15-29
0.673
PET-UNK-d61f3ea6-1
0.673
MAT-POS-5cd9ea36-4
0.673
BEN-DND-32596b04-9
0.673
JOH-SUS-07b743f6-4
0.673
MAT-POS-dc2604c4-4
0.670
EDJ-MED-76744c27-6
0.670
PET-UNK-de87a406-1
0.670
MAT-POS-4223bc15-9
0.667
MAT-POS-61f37a1a-2
0.667
MAT-POS-5cd9ea36-20
0.667
EDJ-MED-76744c27-5
0.667
ALP-POS-395d3f9b-1
0.667
PET-UNK-af70882d-3
0.667
PET-UNK-af70882d-4
0.667
MAT-POS-5cd9ea36-3
0.667
MAT-POS-5cd9ea36-19
0.667
EDJ-MED-7f6e5b75-1
0.667
MAT-POS-4223bc15-10
0.663
MAT-POS-4223bc15-8
0.663
MAT-POS-5cd9ea36-9
0.663
JOH-SUS-07b743f6-7
0.663
MAT-POS-5cd9ea36-11
0.663
XIA-UNK-d96e3d51-1
0.661
PET-UNK-d61f3ea6-4
0.660
PET-UNK-615ad708-5
0.660
PET-UNK-ff046148-1
0.660
PET-UNK-af70882d-2
0.660
PET-UNK-615ad708-2
0.660
MAT-POS-5cd9ea36-16
0.660
MAT-POS-dc2604c4-1
0.657
DAR-DIA-5e50e037-1
0.657
PET-UNK-af70882d-1
0.657
MAT-POS-bf364d7a-5
0.657
EDJ-MED-76744c27-1
0.657
MAT-POS-5cd9ea36-1
0.657
MAT-POS-e194df51-1
0.657
MAT-POS-e194df51-2
0.657
JOH-SUS-07b743f6-6
0.657
MAT-POS-bf364d7a-6
0.657
JOH-SUS-07b743f6-1
0.654
EDJ-MED-1981ceba-5
0.654
EDJ-MED-1981ceba-1
0.654
EDJ-MED-1981ceba-3
0.654
BEN-DND-32596b04-2
0.654
XIA-UNK-c8ef6831-1
0.651
MAT-POS-5cd9ea36-18
0.651
RAL-THA-ee48ba5f-5
0.650
EDJ-MED-4fff0a85-1
0.648
JOH-SUS-07b743f6-2
0.648
ANN-CHE-e1757302-1
0.648
ANN-CHE-e1757302-2
0.648
MAT-POS-4223bc15-4
0.648
MAT-POS-4223bc15-11
0.648
MAT-POS-4223bc15-14
0.648
BEN-DND-32596b04-1
0.648
MAT-POS-dd1fff26-2
0.648
BEN-DND-32596b04-5
0.648
ALF-EVA-0e90125c-4
0.648
EDJ-MED-4fff0a85-2
0.648
MAT-POS-5cd9ea36-10
0.648
MAT-POS-dd1fff26-1
0.648
JOH-SUS-07b743f6-3
0.645
MAT-POS-4223bc15-19
0.643
RAL-THA-6e4c80cf-1
0.643