Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2CCc3ccc(Cl)cc3C2C(=O)Nc2cncc3ccccc23)CC1 |
MW: | 480.1 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.16 |
cLogP: | 4.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-487c5e9f-12
0.896
EDJ-MED-036ae2e9-7
0.798
EDJ-MED-036ae2e9-3
0.774
EDJ-MED-487c5e9f-3
0.752
EDJ-MED-036ae2e9-9
0.750
EDJ-MED-036ae2e9-10
0.750
EDJ-MED-036ae2e9-11
0.713
EDJ-MED-b774e9fe-2
0.705
EDJ-MED-2791eece-6
0.705
EDJ-MED-2791eece-8
0.701
EDJ-MED-b774e9fe-3
0.701
EDJ-MED-487c5e9f-2
0.692
EDJ-MED-2791eece-10
0.684
EDJ-MED-2791eece-11
0.677
EDJ-MED-487c5e9f-6
0.673
EDJ-MED-487c5e9f-9
0.663
EDJ-MED-487c5e9f-5
0.642
EDJ-MED-487c5e9f-10
0.638
EDJ-MED-487c5e9f-7
0.638
EDJ-MED-2791eece-1
0.634
EDJ-MED-487c5e9f-11
0.632
EDJ-MED-2791eece-4
0.631
EDJ-MED-487c5e9f-8
0.626
MAT-POS-e194df51-1
0.620
MAT-POS-e194df51-2
0.620
MAT-POS-dc2604c4-1
0.620
ALP-POS-d054b76b-2
0.610
MAT-POS-fb82b63d-3
0.606
MAT-POS-fb82b63d-4
0.602
EDJ-MED-2791eece-2
0.594
EDJ-MED-b774e9fe-1
0.594
MAT-POS-4223bc15-12
0.589
EDJ-MED-036ae2e9-1
0.588
EDJ-MED-2791eece-12
0.583
JOH-SUS-07b743f6-3
0.580
EDJ-MED-2791eece-7
0.579
MAT-POS-5cd9ea36-5
0.579
ALP-POS-d054b76b-4
0.578
EDJ-MED-036ae2e9-2
0.577
EDJ-MED-036ae2e9-5
0.577
EDJ-MED-2791eece-5
0.575
EDJ-MED-036ae2e9-6
0.574
ALP-POS-c56c1477-3
0.571
MAT-POS-2e8b2191-6
0.571
EDJ-MED-2791eece-3
0.565
MAT-POS-5cd9ea36-6
0.564
MAT-POS-bf364d7a-10
0.564
MAT-POS-bf364d7a-9
0.564
MAT-POS-5cd9ea36-7
0.559
MAT-POS-bf364d7a-11
0.559
MAT-POS-bf364d7a-12
0.559
EDJ-MED-487c5e9f-4
0.559
MAT-POS-777f5926-4
0.557
ALP-POS-07e1ed01-1
0.557
MAT-POS-dc2604c4-3
0.557
MAT-POS-777f5926-3
0.557
EDJ-MED-036ae2e9-4
0.555
ALP-POS-07e1ed01-2
0.552
PET-UNK-94036022-1
0.549
PET-UNK-94036022-8
0.549
XIA-UNK-284f966f-1
0.549
EDJ-MED-036ae2e9-8
0.545
MAT-POS-89bd6af1-1
0.544
ALP-POS-c56c1477-4
0.544
PET-UNK-6da3dcd8-10
0.544
TET-ENA-df1c4375-1
0.543
MAT-POS-acfe5bae-4
0.543
MAT-POS-5cd9ea36-9
0.540
EDJ-MED-2791eece-9
0.540
EDJ-MED-487c5e9f-1
0.540
JOH-SUS-07b743f6-6
0.535
PET-UNK-6da3dcd8-9
0.534
EDJ-MED-b1cef252-2
0.530
PET-UNK-6da3dcd8-8
0.530
MAT-POS-89bd6af1-2
0.530
MAT-POS-83a7b0a0-2
0.530
PET-UNK-2337ec19-1
0.526
PET-UNK-2337ec19-3
0.526
PET-UNK-615ad708-2
0.522
PET-UNK-ff046148-1
0.522
PET-UNK-615ad708-5
0.522
JOH-SUS-07b743f6-1
0.521
BRU-THA-d60fe444-1
0.518
MAT-POS-5cd9ea36-24
0.518
ALP-POS-c56c1477-1
0.518
BRU-THA-4b053743-1
0.518
MAT-POS-5cd9ea36-8
0.517
JOH-SUS-07b743f6-2
0.517
MAT-POS-4223bc15-6
0.514
MAT-POS-5cd9ea36-10
0.513
MAT-POS-dd1fff26-1
0.513
MAT-POS-dd1fff26-2
0.513
PET-UNK-2337ec19-2
0.513
PET-UNK-2337ec19-4
0.513
MAT-POS-fb82b63d-1
0.510
DAR-DIA-4987d2cd-4
0.509
PET-UNK-d61f3ea6-3
0.509
DAR-DIA-5e50e037-1
0.509
DAR-DIA-4987d2cd-3
0.505
EDJ-MED-76744c27-3
0.504