Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)c2cocn2)Cc2ccc(Cl)cc21 |
MW: | 468.07 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 105.4 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-dd3ad2b5-4
ALF-EVA-0e90125c-5
0.750
ALF-EVA-07677224-8
0.745
XIA-UNK-50bd045a-1
0.743
ALF-EVA-07677224-5
0.735
MAT-POS-4223bc15-31
0.735
MAT-POS-24589f88-2
0.716
MAT-POS-dd3ad2b5-4
0.716
MAT-POS-24589f88-3
0.716
MAT-POS-4223bc15-30
0.716
EDJ-MED-1981ceba-2
0.707
ALF-EVA-07677224-2
0.706
PET-UNK-d61f3ea6-2
0.704
ALF-EVA-07677224-10
0.702
ALF-EVA-07677224-6
0.699
XIA-UNK-d96e3d51-1
0.694
MAT-POS-4223bc15-1
0.694
MAT-POS-4223bc15-6
0.694
MAT-POS-4223bc15-3
0.694
ALF-EVA-07677224-1
0.692
MAT-POS-4223bc15-2
0.687
MAT-POS-4223bc15-7
0.683
BRU-THA-98e973b9-1
0.680
BRU-THA-d60fe444-1
0.680
MAT-POS-4223bc15-13
0.680
PET-UNK-d61f3ea6-3
0.680
MAT-POS-5cd9ea36-24
0.676
PET-UNK-d61f3ea6-1
0.676
BEN-DND-32596b04-7
0.673
EDJ-MED-1981ceba-1
0.673
PET-UNK-af70882d-3
0.670
MAT-POS-5cd9ea36-3
0.670
MAT-POS-5cd9ea36-19
0.670
MAT-POS-4223bc15-5
0.667
MAT-POS-4223bc15-15
0.667
MAT-POS-5cd9ea36-2
0.667
MAT-POS-5cd9ea36-17
0.667
BEN-DND-32596b04-6
0.664
PET-UNK-af70882d-2
0.663
ALF-EVA-07677224-3
0.663
BEN-DND-32596b04-9
0.660
MAT-POS-4223bc15-29
0.660
EDJ-MED-76744c27-3
0.660
MAT-POS-5cd9ea36-4
0.660
BEN-DND-32596b04-2
0.657
EDJ-MED-1981ceba-5
0.657
MAT-POS-5cd9ea36-20
0.654
MAT-POS-4223bc15-9
0.654
MAT-POS-61f37a1a-2
0.654
PET-UNK-af70882d-4
0.654
EDJ-MED-76744c27-5
0.654
EDJ-MED-7f6e5b75-1
0.654
ALF-EVA-0e90125c-6
0.651
JOH-SUS-07b743f6-5
0.651
JOH-SUS-07b743f6-7
0.651
MAT-POS-4223bc15-8
0.651
MAT-POS-4223bc15-11
0.651
BEN-DND-32596b04-1
0.651
ALF-EVA-0e90125c-4
0.651
ANN-CHE-e1757302-1
0.651
PET-UNK-d61f3ea6-4
0.648
EDJ-MED-1981ceba-4
0.648
PET-UNK-ff046148-1
0.648
PET-UNK-615ad708-2
0.648
MAT-POS-5cd9ea36-16
0.648
PET-UNK-615ad708-5
0.648
ALF-EVA-07677224-4
0.645
JOH-SUS-07b743f6-4
0.645
JOH-SUS-07b743f6-6
0.645
ANN-CHE-e1757302-3
0.645
EDJ-MED-1981ceba-3
0.642
MAT-POS-dc2604c4-4
0.642
EDJ-MED-76744c27-6
0.642
BEN-DND-32596b04-8
0.642
PET-UNK-de87a406-1
0.642
XIA-UNK-c8ef6831-1
0.639
ALP-POS-395d3f9b-1
0.639
ANN-CHE-e1757302-4
0.639
MAT-POS-5cd9ea36-11
0.636
MAT-POS-4223bc15-4
0.636
MAT-POS-4223bc15-10
0.636
MAT-POS-4223bc15-14
0.636
BEN-DND-32596b04-5
0.636
EDJ-MED-4fff0a85-2
0.636
MAT-POS-5cd9ea36-9
0.636
MAT-POS-5cd9ea36-10
0.636
MAT-POS-dd1fff26-1
0.636
MAT-POS-dd1fff26-2
0.636
ANN-CHE-e1757302-2
0.636
JOH-SUS-07b743f6-3
0.633
MAT-POS-4223bc15-19
0.630
RAL-THA-6e4c80cf-1
0.630
MAT-POS-dc2604c4-1
0.630
MAT-POS-bf364d7a-5
0.630
MAT-POS-bf364d7a-6
0.630
BEN-DND-32596b04-3
0.630
PET-UNK-af70882d-1
0.630
MAT-POS-5cd9ea36-1
0.630
EDJ-MED-76744c27-1
0.630
DAR-DIA-5e50e037-1
0.630
EDJ-MED-4fff0a85-4
0.630