Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)N2CC(O)C2)Cc2ccc(Cl)cc21 |
MW: | 472.1 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 102.84 |
cLogP: | 2.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-1981ceba-2
0.841
EDJ-MED-1981ceba-4
0.824
PET-UNK-d61f3ea6-1
0.822
EDJ-MED-1981ceba-3
0.815
BEN-DND-32596b04-8
0.796
EDJ-MED-1981ceba-1
0.796
EDJ-MED-1981ceba-5
0.796
BEN-DND-32596b04-2
0.796
MAT-POS-dd3ad2b5-4
0.793
MAT-POS-24589f88-2
0.793
MAT-POS-24589f88-3
0.793
MAT-POS-4223bc15-11
0.787
BEN-DND-32596b04-1
0.787
MAT-POS-4223bc15-6
0.767
PET-UNK-d61f3ea6-4
0.763
MAT-POS-4223bc15-2
0.758
MAT-POS-4223bc15-13
0.750
MAT-POS-4223bc15-1
0.747
MAT-POS-4223bc15-3
0.747
PET-UNK-d61f3ea6-2
0.739
BRU-THA-98e973b9-1
0.731
BRU-THA-d60fe444-1
0.731
PET-UNK-af70882d-4
0.719
MAT-POS-61f37a1a-2
0.719
EDJ-MED-7f6e5b75-1
0.719
MAT-POS-4223bc15-9
0.719
MAT-POS-4223bc15-7
0.716
MAT-POS-4223bc15-5
0.716
MAT-POS-4223bc15-15
0.716
MAT-POS-5cd9ea36-2
0.716
MAT-POS-5cd9ea36-17
0.716
PET-UNK-615ad708-5
0.711
PET-UNK-d61f3ea6-3
0.711
PET-UNK-af70882d-2
0.711
PET-UNK-615ad708-2
0.711
PET-UNK-ff046148-1
0.711
MAT-POS-4223bc15-29
0.708
EDJ-MED-76744c27-3
0.708
MAT-POS-5cd9ea36-4
0.708
MAT-POS-5cd9ea36-24
0.708
MAT-POS-4223bc15-16
0.706
EDJ-MED-76744c27-5
0.701
PET-UNK-af70882d-3
0.701
MAT-POS-5cd9ea36-3
0.701
MAT-POS-5cd9ea36-19
0.701
MAT-POS-5cd9ea36-20
0.701
ALP-POS-395d3f9b-1
0.700
MAT-POS-5cd9ea36-9
0.697
MAT-POS-5cd9ea36-10
0.697
MAT-POS-dd1fff26-1
0.697
MAT-POS-dd1fff26-2
0.697
MAT-POS-5cd9ea36-16
0.694
ALF-EVA-07677224-3
0.694
XIA-UNK-284f966f-1
0.690
PET-UNK-94036022-8
0.690
XIA-UNK-50bd045a-1
0.690
ANN-CHE-e1757302-3
0.690
MAT-POS-dc2604c4-1
0.690
MAT-POS-e194df51-1
0.690
MAT-POS-e194df51-2
0.690
JOH-SUS-07b743f6-6
0.690
PET-UNK-94036022-1
0.690
MAT-POS-dc2604c4-4
0.687
ALF-EVA-07677224-2
0.687
PET-UNK-de87a406-1
0.687
EDJ-MED-76744c27-6
0.687
XIA-UNK-c8ef6831-1
0.683
MAT-POS-4223bc15-31
0.683
MAT-POS-5cd9ea36-18
0.683
MAT-POS-4223bc15-4
0.680
MAT-POS-4223bc15-30
0.680
MAT-POS-4223bc15-14
0.680
ANN-CHE-e1757302-1
0.680
ANN-CHE-e1757302-2
0.680
MAT-POS-4223bc15-8
0.680
MAT-POS-4223bc15-10
0.680
ALF-EVA-07677224-6
0.680
BEN-DND-32596b04-5
0.680
ALF-EVA-0e90125c-4
0.680
ALF-EVA-0e90125c-5
0.680
EDJ-MED-4fff0a85-2
0.680
MAT-POS-5cd9ea36-11
0.680
JOH-SUS-07b743f6-5
0.680
JOH-SUS-07b743f6-7
0.680
EDJ-MED-76744c27-4
0.676
ALF-EVA-07677224-7
0.676
ALF-EVA-07677224-9
0.676
MAT-POS-bf364d7a-8
0.676
JOH-SUS-07b743f6-3
0.676
MAT-POS-bf364d7a-7
0.676
BEN-DND-f2e727cd-6
0.674
MAT-POS-dd3ad2b5-1
0.674
PET-UNK-af70882d-1
0.673
EDJ-MED-76744c27-1
0.673
MAT-POS-bf364d7a-4
0.673
ANN-CHE-e1757302-5
0.673
MAT-POS-bf364d7a-6
0.673
ALF-EVA-07677224-1
0.673
ALF-EVA-07677224-4
0.673
BEN-DND-32596b04-3
0.673