Molecular Properties | |
SMILES: | CSC1(C(=O)Nc2cncc3ccccc23)CN(S(C)(=O)=O)Cc2ccc(Cl)cc21 |
MW: | 461.06 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.37 |
cLogP: | 3.86 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
JOH-UNI-e398da21-2
1.000
PET-UNK-6da3dcd8-2
0.692
PET-UNK-6da3dcd8-1
0.646
PET-UNK-9bf1291a-1
0.646
ALP-POS-5290f14d-1
0.646
MIC-UNK-ea4eb352-2
0.646
PET-UNK-bcc8fd08-4
0.630
PET-UNK-0d6841fa-1
0.618
PET-UNK-ad758083-1
0.608
PET-UNK-6da3dcd8-4
0.590
MAT-POS-64942dd0-4
0.564
PET-UNK-757f8bc8-7
0.562
PET-UNK-757f8bc8-8
0.558
MIC-UNK-6e9f8a43-2
0.550
PET-UNK-6da3dcd8-3
0.548
PET-UNK-6da3dcd8-7
0.546
PET-UNK-88d26eaf-1
0.543
EDJ-MED-cf877e1d-2
0.543
PET-UNK-757f8bc8-3
0.542
MIC-UNK-ea4eb352-10
0.538
EDJ-MED-670ad2ee-2
0.538
EDJ-MED-841e0cf0-2
0.538
PET-UNK-757f8bc8-5
0.537
JOH-UNI-e398da21-1
0.535
ALP-POS-e266d783-2
0.535
MAT-UNK-28cf4d29-1
0.535
MAT-POS-89bd6af1-3
0.535
EDJ-MED-841e0cf0-1
0.534
EDJ-MED-670ad2ee-1
0.534
MIC-UNK-ea4eb352-6
0.534
EDJ-MED-82bd779b-1
0.532
PET-UNK-757f8bc8-6
0.532
PET-UNK-0d6841fa-2
0.532
ALP-POS-d054b76b-2
0.530
PET-UNK-ad758083-2
0.527
ALP-POS-c56c1477-4
0.527
MAT-POS-89bd6af1-1
0.527
PET-UNK-6da3dcd8-10
0.527
MAT-POS-24589f88-3
0.525
MAT-POS-dd3ad2b5-4
0.525
MAT-POS-24589f88-2
0.525
PET-UNK-757f8bc8-12
0.523
PET-UNK-757f8bc8-4
0.523
PET-UNK-757f8bc8-11
0.523
PET-UNK-9bf1291a-3
0.520
PET-UNK-6da3dcd8-12
0.519
EDJ-MED-e9a22d5d-2
0.518
PET-UNK-6da3dcd8-5
0.513
EDJ-MED-670ad2ee-4
0.510
EDJ-MED-841e0cf0-4
0.510
EDJ-MED-670ad2ee-3
0.509
EDJ-MED-923a35c2-5
0.509
EDJ-MED-841e0cf0-3
0.509
PET-UNK-757f8bc8-2
0.509
MAT-POS-fb82b63d-2
0.505
MAT-POS-89bd6af1-4
0.505
EDJ-MED-b1cef252-1
0.505
MAT-POS-83a7b0a0-1
0.505
PET-UNK-bcc8fd08-5
0.505
PET-UNK-757f8bc8-9
0.504
PET-UNK-757f8bc8-1
0.504
PET-UNK-6da3dcd8-6
0.504
EDJ-MED-b1cef252-2
0.500
PET-UNK-6da3dcd8-8
0.500
PET-UNK-757f8bc8-10
0.500
MAT-POS-83a7b0a0-2
0.500
MAT-POS-89bd6af1-2
0.500
PET-UNK-9bf1291a-5
0.495
EDJ-MED-2791eece-6
0.495
EDJ-MED-b774e9fe-2
0.495
PET-UNK-6da3dcd8-9
0.491
PET-UNK-c65ea24c-1
0.491
EDJ-MED-923a35c2-1
0.486
FRA-DIA-6238d354-1
0.486
PET-UNK-f4e47ebd-24
0.486
PET-UNK-f4e47ebd-25
0.486
PET-UNK-407a74a5-6
0.485
MAT-POS-83f73d0a-3
0.485
LUO-POS-433ce175-1
0.485
EDJ-MED-9e38fd34-2
0.485
EDJ-MED-9e38fd34-1
0.485
EDJ-MED-9e38fd34-3
0.485
PET-UNK-6da3dcd8-11
0.482
PET-UNK-03fd2068-9
0.482
MAT-POS-e6dd326d-4
0.481
EDJ-MED-036ae2e9-3
0.481
PET-UNK-bcc8fd08-6
0.478
PET-UNK-0d6841fa-6
0.477
ALP-POS-1cbc2fae-2
0.476
EDJ-MED-70ab3faf-1
0.476
PET-UNK-407a74a5-7
0.476
EDJ-MED-12c4873b-1
0.473
RAL-THA-e002e396-1
0.472
DAR-DIA-6a508060-10
0.471
MAT-POS-8e4737f4-1
0.471
EDJ-MED-e4b030d8-13
0.471
BEN-DND-a7517465-4
0.471
MAT-POS-c7771779-1
0.471
MAT-POS-2905de8c-3
0.471
PET-UNK-9b23ef84-4
0.469