Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1c2cc(Cl)ccc2CCN1S(=O)(=O)N1CCOCC1 |
MW: | 486.11 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 91.84 |
cLogP: | 3.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-487c5e9f-10
0.809
EDJ-MED-487c5e9f-6
0.755
EDJ-MED-487c5e9f-8
0.755
EDJ-MED-2791eece-6
0.720
EDJ-MED-b774e9fe-2
0.720
EDJ-MED-b774e9fe-3
0.716
EDJ-MED-2791eece-8
0.716
EDJ-MED-2791eece-10
0.716
EDJ-MED-036ae2e9-3
0.716
EDJ-MED-487c5e9f-9
0.711
EDJ-MED-487c5e9f-11
0.693
EDJ-MED-2791eece-11
0.691
EDJ-MED-036ae2e9-9
0.677
EDJ-MED-036ae2e9-10
0.677
EDJ-MED-036ae2e9-7
0.670
EDJ-MED-487c5e9f-12
0.667
EDJ-MED-036ae2e9-11
0.660
EDJ-MED-487c5e9f-5
0.654
EDJ-MED-036ae2e9-12
0.638
EDJ-MED-487c5e9f-2
0.626
EDJ-MED-2791eece-2
0.622
EDJ-MED-b774e9fe-1
0.622
EDJ-MED-487c5e9f-3
0.620
MAT-POS-fb82b63d-3
0.619
EDJ-MED-1981ceba-1
0.613
ALP-POS-d054b76b-2
0.606
EDJ-MED-036ae2e9-1
0.600
EDJ-MED-2791eece-12
0.594
ALP-POS-d054b76b-4
0.589
EDJ-MED-036ae2e9-2
0.588
MAT-POS-fb82b63d-4
0.583
EDJ-MED-2791eece-1
0.583
EDJ-MED-2791eece-4
0.581
EDJ-MED-2791eece-3
0.575
EDJ-MED-2791eece-5
0.571
EDJ-MED-036ae2e9-4
0.565
EDJ-MED-2791eece-7
0.561
EDJ-MED-036ae2e9-6
0.556
EDJ-MED-036ae2e9-8
0.555
EDJ-MED-487c5e9f-4
0.541
EDJ-MED-2791eece-9
0.536
EDJ-MED-487c5e9f-1
0.536
EDJ-MED-036ae2e9-5
0.531
EDJ-MED-1981ceba-2
0.523
PET-UNK-d61f3ea6-1
0.514
MAT-POS-dd3ad2b5-4
0.509
MAT-POS-24589f88-2
0.509
MAT-POS-24589f88-3
0.509
MAT-POS-4223bc15-3
0.509
MAT-POS-fb82b63d-1
0.505
MIC-UNK-91acba05-4
0.505
ALP-POS-477dc5b7-1
0.505
DAR-DIA-4987d2cd-4
0.505
PET-UNK-d61f3ea6-2
0.505
MAT-POS-4223bc15-7
0.505
BEN-DND-32596b04-2
0.500
DAR-DIA-4987d2cd-3
0.500
EDJ-MED-1981ceba-5
0.500
EDJ-MED-4fff0a85-1
0.500
BRU-THA-98e973b9-1
0.500
MAT-POS-5cd9ea36-6
0.496
MAT-POS-bf364d7a-9
0.496
MAT-POS-bf364d7a-10
0.496
ALF-EVA-07677224-8
0.496
JOH-SUS-07b743f6-3
0.496
MAT-POS-4223bc15-8
0.496
BEN-DND-32596b04-1
0.496
PET-UNK-af70882d-4
0.496
EDJ-MED-139368ae-1
0.495
BEN-DND-32596b04-7
0.495
MAT-POS-4223bc15-6
0.495
MAT-POS-4223bc15-1
0.495
PET-UNK-d61f3ea6-3
0.491
MAT-POS-4223bc15-2
0.491
BEN-DND-f2e727cd-4
0.490
ALP-UNI-c3ef0aba-2
0.490
ANN-CHE-e1757302-4
0.487
ALF-EVA-07677224-2
0.487
MAT-POS-5cd9ea36-24
0.487
EDJ-MED-76744c27-3
0.487
MAT-POS-4223bc15-13
0.486
BRU-THA-d60fe444-1
0.486
MAT-POS-4223bc15-16
0.483
MAT-POS-4223bc15-11
0.483
ALF-EVA-0e90125c-4
0.483
EDJ-MED-4fff0a85-2
0.483
MAT-POS-5cd9ea36-9
0.483
MAT-POS-4223bc15-9
0.482
MAT-POS-61f37a1a-2
0.482
PET-UNK-af70882d-3
0.482
EDJ-MED-7f6e5b75-1
0.482
ALF-EVA-07677224-4
0.479
ALF-EVA-0e90125c-8
0.479
EDJ-MED-1981ceba-4
0.478
PET-UNK-af70882d-2
0.478
ALF-EVA-07677224-3
0.478
MAT-POS-5cd9ea36-17
0.478
MAT-POS-4223bc15-15
0.478
MAT-POS-4223bc15-5
0.478
MAT-POS-5cd9ea36-2
0.478