Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3ccc(S(C)(=O)=O)cc23)CN(S(C)(=O)=O)Cc2cc(F)c(Cl)cc21 |
MW: | 525.06 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 113.51 |
cLogP: | 3.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-923a35c2-4
0.800
EDJ-MED-841e0cf0-4
0.778
EDJ-MED-670ad2ee-4
0.778
MAT-POS-64942dd0-4
0.750
EDJ-MED-923a35c2-2
0.724
EDJ-MED-670ad2ee-11
0.649
EDJ-MED-841e0cf0-8
0.649
EDJ-MED-670ad2ee-12
0.649
PET-UNK-03fd2068-10
0.581
FRA-DIA-6238d354-1
0.571
EDJ-MED-923a35c2-1
0.571
MAT-POS-64942dd0-1
0.562
EDJ-MED-841e0cf0-2
0.537
EDJ-MED-670ad2ee-2
0.537
MIC-UNK-ea4eb352-10
0.537
MAT-POS-edabd372-2
0.528
PET-UNK-f4e47ebd-29
0.523
EDJ-MED-93390d0c-4
0.514
EDJ-MED-946e547c-1
0.509
PET-UNK-f4e47ebd-28
0.495
FRA-DIA-6238d354-2
0.495
PET-UNK-f4e47ebd-30
0.491
PET-UNK-03fd2068-11
0.487
PET-UNK-757f8bc8-7
0.478
PET-UNK-b566c0b0-7
0.474
PET-UNK-f4e47ebd-31
0.474
EDJ-MED-670ad2ee-3
0.468
EDJ-MED-923a35c2-5
0.468
EDJ-MED-841e0cf0-3
0.468
PET-UNK-b566c0b0-2
0.464
PET-UNK-757f8bc8-8
0.460
EDJ-MED-827e7cb4-6
0.460
EDJ-MED-611d11e7-1
0.459
MAT-POS-96f51285-2
0.459
EDJ-MED-611d11e7-3
0.455
MAT-POS-96f51285-4
0.455
PET-UNK-bcc8fd08-5
0.452
PET-UNK-81b485b5-12
0.452
PET-UNK-81b485b5-26
0.452
PET-UNK-757f8bc8-5
0.444
PET-UNK-757f8bc8-6
0.441
EDJ-MED-82bd779b-1
0.441
EDJ-MED-841e0cf0-1
0.438
MIC-UNK-ea4eb352-6
0.438
EDJ-MED-670ad2ee-1
0.438
ALP-POS-c56c1477-4
0.437
MAT-POS-89bd6af1-1
0.437
PET-UNK-03fd2068-5
0.434
PET-UNK-9b23ef84-1
0.434
MAT-POS-64942dd0-2
0.434
EDJ-MED-ce467fd5-3
0.430
TET-ENA-9b1de71a-1
0.429
PET-UNK-6da3dcd8-2
0.427
EDJ-MED-ce467fd5-2
0.417
BEN-DND-a02b439d-11
0.416
PET-UNK-b566c0b0-8
0.415
PET-UNK-9bf1291a-1
0.412
JOH-UNI-e398da21-2
0.412
ALP-POS-5290f14d-1
0.412
MIC-UNK-6e9f8a43-1
0.412
MAT-POS-64942dd0-3
0.412
MIC-UNK-ea4eb352-2
0.412
EDJ-MED-378a25ea-10
0.411
ALP-POS-e266d783-2
0.411
MAT-POS-89bd6af1-3
0.411
MAT-UNK-28cf4d29-1
0.411
PET-UNK-1b92fa34-8
0.409
EDJ-MED-827e7cb4-5
0.407
EDG-MED-b8f93667-4
0.405
PET-UNK-b38839dc-22
0.403
BEN-DND-c852c98b-5
0.402
ERI-UCB-8d4e5055-4
0.402
ALP-POS-e6e0c683-4
0.400
PET-UNK-1e13ef09-2
0.400
PET-UNK-6da3dcd8-1
0.400
MAT-POS-a334828f-3
0.400
PET-UNK-9b23ef84-13
0.400
ALF-EVA-82cf4849-8
0.398
EDJ-MED-827e7cb4-2
0.398
BEN-DND-a02b439d-10
0.398
PET-UNK-f4e47ebd-25
0.397
EDG-MED-10fcb19e-3
0.395
PET-UNK-bcc8fd08-4
0.395
ALP-UNI-8d415491-5
0.395
EDJ-MED-611d11e7-2
0.395
PET-UNK-03fd2068-3
0.395
PET-UNK-f4e47ebd-13
0.393
PET-UNK-b38839dc-23
0.392
PET-UNK-ad758083-1
0.392
EDJ-MED-93390d0c-1
0.391
MAT-POS-edabd372-1
0.391
PET-UNK-9bf1291a-2
0.391
EDG-MED-b8f93667-6
0.390
PET-UNK-9b23ef84-5
0.389
PET-UNK-9b23ef84-9
0.389
PET-UNK-0d6841fa-1
0.388
PET-UNK-6da3dcd8-12
0.388
EDG-MED-b8f93667-8
0.387
EDJ-MED-2f867453-2
0.385
PET-UNK-03fd2068-9
0.383