Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2CCc3ccc(Cl)cc3C2C(=O)Nc2cncc3ccccc23)CCOCC1 |
MW: | 524.13 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 112.39 |
cLogP: | 4.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-036ae2e9-12
0.896
EDJ-MED-036ae2e9-7
0.735
EDJ-MED-487c5e9f-3
0.713
EDJ-MED-036ae2e9-3
0.713
EDJ-MED-036ae2e9-9
0.692
EDJ-MED-036ae2e9-10
0.692
EDJ-MED-487c5e9f-7
0.667
EDJ-MED-2791eece-8
0.663
EDJ-MED-b774e9fe-3
0.663
EDJ-MED-036ae2e9-11
0.661
EDJ-MED-b774e9fe-2
0.650
EDJ-MED-2791eece-6
0.650
EDJ-MED-2791eece-10
0.648
MAT-POS-5cd9ea36-6
0.647
MAT-POS-bf364d7a-10
0.647
MAT-POS-bf364d7a-9
0.647
EDJ-MED-487c5e9f-9
0.645
EDJ-MED-487c5e9f-2
0.643
EDJ-MED-487c5e9f-11
0.631
EDJ-MED-2791eece-11
0.626
EDJ-MED-487c5e9f-6
0.625
EDJ-MED-487c5e9f-5
0.611
EDJ-MED-487c5e9f-10
0.607
EDJ-MED-2791eece-1
0.587
EDJ-MED-2791eece-4
0.586
EDJ-MED-487c5e9f-8
0.583
JOH-SUS-07b743f6-3
0.568
EDJ-MED-2791eece-2
0.565
ALP-POS-d054b76b-2
0.565
EDJ-MED-b774e9fe-1
0.565
MAT-POS-e194df51-1
0.564
MAT-POS-e194df51-2
0.564
MAT-POS-dc2604c4-1
0.564
MAT-POS-fb82b63d-3
0.561
MAT-POS-fb82b63d-4
0.559
MAT-POS-4223bc15-12
0.550
EDJ-MED-036ae2e9-1
0.545
MAT-POS-5cd9ea36-5
0.541
EDJ-MED-2791eece-12
0.541
EDJ-MED-2791eece-7
0.539
ALP-POS-d054b76b-4
0.538
EDJ-MED-036ae2e9-5
0.538
EDJ-MED-036ae2e9-2
0.536
EDJ-MED-2791eece-5
0.535
EDJ-MED-036ae2e9-6
0.534
EDJ-MED-036ae2e9-4
0.530
ALP-POS-07e1ed01-2
0.528
EDJ-MED-2791eece-3
0.526
MAT-POS-5cd9ea36-7
0.524
MAT-POS-bf364d7a-11
0.524
MAT-POS-bf364d7a-12
0.524
EDJ-MED-036ae2e9-8
0.521
EDJ-MED-487c5e9f-4
0.521
ALP-POS-c56c1477-3
0.521
MAT-POS-2e8b2191-6
0.521
MAT-POS-777f5926-3
0.520
MAT-POS-777f5926-4
0.520
ALP-POS-07e1ed01-1
0.520
MAT-POS-dc2604c4-3
0.520
MAT-POS-5cd9ea36-9
0.517
JOH-SUS-07b743f6-6
0.512
TET-ENA-df1c4375-1
0.508
MAT-POS-acfe5bae-4
0.508
EDJ-MED-2791eece-9
0.504
EDJ-MED-487c5e9f-1
0.504
XIA-UNK-284f966f-1
0.500
PET-UNK-94036022-1
0.500
PET-UNK-94036022-8
0.500
JOH-SUS-07b743f6-2
0.496
MAT-POS-89bd6af1-1
0.496
ALP-POS-c56c1477-4
0.496
PET-UNK-6da3dcd8-10
0.496
EDJ-MED-1981ceba-1
0.496
MAT-POS-5cd9ea36-24
0.496
PET-UNK-6da3dcd8-9
0.488
JOH-SUS-07b743f6-1
0.488
PET-UNK-615ad708-2
0.488
PET-UNK-ff046148-1
0.488
PET-UNK-d61f3ea6-3
0.488
PET-UNK-615ad708-5
0.488
EDJ-MED-4fff0a85-1
0.484
EDJ-MED-b1cef252-2
0.484
MAT-POS-5cd9ea36-8
0.484
PET-UNK-6da3dcd8-8
0.484
MAT-POS-89bd6af1-2
0.484
MAT-POS-83a7b0a0-2
0.484
ALP-POS-d7944b10-9
0.484
BRU-THA-d60fe444-1
0.483
PET-UNK-2337ec19-1
0.480
PET-UNK-2337ec19-3
0.480
MAT-POS-dd1fff26-1
0.480
MAT-POS-dd1fff26-2
0.480
MAT-POS-5cd9ea36-10
0.480
JOH-SUS-07b743f6-7
0.480
MAT-POS-4223bc15-6
0.479
DAR-DIA-5e50e037-1
0.476
ALF-EVA-07677224-3
0.475
DAR-DIA-4987d2cd-4
0.475
PET-UNK-d61f3ea6-2
0.475
MAT-POS-fb82b63d-1
0.473