Molecular Properties | |
SMILES: | CN1CCN(S(=O)(=O)N2CCc3ccc(Cl)cc3C2C(=O)Nc2cncc3ccccc23)CC1 |
MW: | 499.14 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 85.85 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-487c5e9f-7
0.809
EDJ-MED-487c5e9f-8
0.773
EDJ-MED-487c5e9f-6
0.755
EDJ-MED-b774e9fe-2
0.739
EDJ-MED-2791eece-6
0.739
EDJ-MED-036ae2e9-3
0.734
EDJ-MED-2791eece-11
0.726
EDJ-MED-2791eece-10
0.716
EDJ-MED-2791eece-8
0.716
EDJ-MED-b774e9fe-3
0.716
EDJ-MED-487c5e9f-9
0.694
EDJ-MED-036ae2e9-9
0.677
EDJ-MED-036ae2e9-10
0.677
EDJ-MED-036ae2e9-11
0.676
EDJ-MED-036ae2e9-7
0.670
EDJ-MED-487c5e9f-11
0.660
EDJ-MED-487c5e9f-2
0.657
EDJ-MED-487c5e9f-5
0.654
MAT-POS-fb82b63d-3
0.653
EDJ-MED-487c5e9f-3
0.651
EDJ-MED-b774e9fe-1
0.639
EDJ-MED-2791eece-2
0.639
EDJ-MED-036ae2e9-12
0.638
EDJ-MED-2791eece-12
0.626
ALP-POS-d054b76b-2
0.622
EDJ-MED-036ae2e9-2
0.620
EDJ-MED-036ae2e9-1
0.616
EDJ-MED-1981ceba-5
0.613
BEN-DND-32596b04-2
0.613
EDJ-MED-487c5e9f-12
0.607
EDJ-MED-2791eece-3
0.606
ALP-POS-d054b76b-4
0.589
EDJ-MED-2791eece-5
0.587
EDJ-MED-487c5e9f-4
0.583
EDJ-MED-036ae2e9-8
0.583
MAT-POS-fb82b63d-4
0.583
EDJ-MED-2791eece-1
0.583
EDJ-MED-2791eece-4
0.581
EDJ-MED-2791eece-7
0.575
EDJ-MED-036ae2e9-4
0.565
EDJ-MED-036ae2e9-6
0.556
EDJ-MED-2791eece-9
0.550
EDJ-MED-036ae2e9-5
0.545
EDJ-MED-487c5e9f-1
0.536
MAT-POS-24589f88-3
0.524
MAT-POS-dd3ad2b5-4
0.524
MAT-POS-24589f88-2
0.524
EDJ-MED-1981ceba-2
0.523
PET-UNK-d61f3ea6-1
0.514
MAT-POS-4223bc15-1
0.509
MAT-POS-4223bc15-6
0.509
ALF-EVA-07677224-8
0.509
ALP-POS-477dc5b7-1
0.505
MAT-POS-fb82b63d-1
0.505
MIC-UNK-91acba05-4
0.505
MAT-POS-dd3ad2b5-1
0.505
BEN-DND-f2e727cd-6
0.505
PET-UNK-d61f3ea6-2
0.505
DAR-DIA-4987d2cd-4
0.505
MAT-POS-4223bc15-2
0.505
EDJ-MED-1981ceba-1
0.500
DAR-DIA-4987d2cd-3
0.500
MAT-POS-4223bc15-31
0.500
EDJ-MED-139368ae-5
0.500
BRU-THA-98e973b9-1
0.500
ALP-POS-07e1ed01-2
0.496
MAT-POS-4223bc15-11
0.496
BEN-DND-32596b04-1
0.496
ALF-EVA-0e90125c-4
0.496
ANN-CHE-e1757302-2
0.496
EDJ-MED-7f6e5b75-1
0.496
PET-UNK-af70882d-3
0.496
PET-UNK-af70882d-4
0.496
BEN-DND-32596b04-7
0.495
MAT-POS-4223bc15-3
0.495
XIA-UNK-50bd045a-1
0.491
PET-UNK-d61f3ea6-3
0.491
MAT-POS-5cd9ea36-17
0.491
MAT-POS-5cd9ea36-22
0.487
ALF-EVA-07677224-2
0.487
BEN-DND-32596b04-8
0.487
EDJ-MED-1981ceba-3
0.487
MAT-POS-4223bc15-29
0.487
MAT-POS-5cd9ea36-24
0.487
EDJ-MED-76744c27-3
0.487
MAT-POS-5cd9ea36-4
0.487
MAT-POS-4223bc15-13
0.486
BRU-THA-d60fe444-1
0.486
MAT-POS-4223bc15-16
0.483
BEN-DND-32596b04-6
0.483
MAT-POS-4223bc15-4
0.483
EDJ-MED-4fff0a85-2
0.483
MAT-POS-5cd9ea36-20
0.482
EDJ-MED-76744c27-5
0.482
MAT-POS-5cd9ea36-19
0.482
MAT-POS-5cd9ea36-21
0.479
MAT-POS-5cd9ea36-23
0.479
ANN-CHE-e1757302-3
0.479
PET-UNK-af70882d-2
0.478
EDJ-MED-1981ceba-4
0.478