Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)N2CCC(F)(F)C2)Cc2ccc(Cl)cc21 |
MW: | 506.1 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.61 |
cLogP: | 4.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-1981ceba-2
0.781
PET-UNK-d61f3ea6-1
0.765
BEN-DND-32596b04-7
0.763
BEN-DND-32596b04-8
0.760
EDJ-MED-1981ceba-4
0.750
BEN-DND-32596b04-2
0.743
EDJ-MED-1981ceba-1
0.743
EDJ-MED-1981ceba-5
0.743
MAT-POS-4223bc15-11
0.735
BEN-DND-32596b04-1
0.735
EDJ-MED-1981ceba-3
0.725
MAT-POS-24589f88-3
0.701
MAT-POS-dd3ad2b5-4
0.701
MAT-POS-24589f88-2
0.701
MAT-POS-4223bc15-6
0.697
MAT-POS-4223bc15-2
0.690
MAT-POS-5cd9ea36-9
0.686
BRU-THA-98e973b9-1
0.683
BRU-THA-d60fe444-1
0.683
MAT-POS-4223bc15-1
0.680
MAT-POS-4223bc15-3
0.680
PET-UNK-d61f3ea6-2
0.673
EDJ-MED-7f6e5b75-1
0.673
XIA-UNK-c8ef6831-1
0.673
MAT-POS-5cd9ea36-17
0.670
MAT-POS-4223bc15-30
0.670
MAT-POS-5cd9ea36-11
0.670
MAT-POS-4223bc15-13
0.667
PET-UNK-615ad708-5
0.667
PET-UNK-ff046148-1
0.667
PET-UNK-615ad708-2
0.667
MAT-POS-4223bc15-16
0.664
MAT-POS-dc2604c4-1
0.664
MAT-POS-e194df51-1
0.664
MAT-POS-e194df51-2
0.664
PET-UNK-94036022-1
0.664
XIA-UNK-284f966f-1
0.664
PET-UNK-94036022-8
0.664
MAT-POS-5cd9ea36-4
0.663
PET-UNK-de87a406-1
0.660
ALF-EVA-07677224-2
0.660
ALP-POS-395d3f9b-1
0.657
MAT-POS-5cd9ea36-3
0.657
MAT-POS-5cd9ea36-19
0.657
EDJ-MED-76744c27-5
0.657
MAT-POS-5cd9ea36-10
0.654
MAT-POS-dd1fff26-1
0.654
MAT-POS-dd1fff26-2
0.654
MAT-POS-4223bc15-5
0.654
MAT-POS-4223bc15-7
0.654
MAT-POS-4223bc15-15
0.654
MAT-POS-5cd9ea36-2
0.654
PET-UNK-d61f3ea6-3
0.651
ALF-EVA-07677224-3
0.651
PET-UNK-af70882d-2
0.651
XIA-UNK-50bd045a-1
0.648
DAR-DIA-5e50e037-1
0.648
ALF-EVA-0e90125c-8
0.648
MAT-POS-4223bc15-29
0.648
MAT-POS-5cd9ea36-24
0.648
EDJ-MED-76744c27-3
0.648
MAT-POS-4223bc15-12
0.645
JOH-SUS-07b743f6-1
0.645
MAT-POS-4223bc15-31
0.642
ALF-EVA-07677224-10
0.642
MAT-POS-5cd9ea36-12
0.642
MAT-POS-4223bc15-9
0.642
MAT-POS-61f37a1a-2
0.642
PET-UNK-af70882d-3
0.642
MAT-POS-5cd9ea36-20
0.642
PET-UNK-af70882d-4
0.642
JOH-SUS-07b743f6-2
0.640
BEN-DND-32596b04-5
0.639
ALF-EVA-0e90125c-5
0.639
EDJ-MED-4fff0a85-2
0.639
ALF-EVA-07677224-6
0.639
ALF-EVA-07677224-8
0.636
ALF-EVA-07677224-7
0.636
EDJ-MED-76744c27-4
0.636
MAT-POS-bf364d7a-7
0.636
MAT-POS-bf364d7a-8
0.636
JOH-SUS-07b743f6-3
0.636
MAT-POS-5cd9ea36-16
0.636
ALP-POS-07e1ed01-2
0.634
MAT-POS-5cd9ea36-5
0.634
ALF-EVA-07677224-1
0.633
ALF-EVA-07677224-4
0.633
BEN-DND-32596b04-3
0.633
PET-UNK-af70882d-1
0.633
EDJ-MED-76744c27-1
0.633
JOH-SUS-07b743f6-6
0.633
MAT-POS-bf364d7a-6
0.633
MAT-POS-bf364d7a-5
0.633
MAT-POS-5cd9ea36-1
0.633
EDJ-MED-76744c27-6
0.630
MAT-POS-dc2604c4-4
0.630
ALF-EVA-07677224-5
0.627
EDJ-MED-76744c27-7
0.627
EDJ-MED-76744c27-2
0.627
MAT-POS-5cd9ea36-18
0.627