Molecular Properties | |
SMILES: | C[C@@]1(C(=O)Nc2cncc3ccc(F)cc23)CN(S(C)(=O)=O)Cc2cc(Cl)c(Cl)cc21 |
MW: | 481.04 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.37 |
cLogP: | 4.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-670ad2ee-12
1.000
EDJ-MED-841e0cf0-8
1.000
EDJ-MED-923a35c2-4
0.816
EDJ-MED-923a35c2-3
0.649
MAT-POS-64942dd0-4
0.635
PET-UNK-03fd2068-10
0.604
EDJ-MED-670ad2ee-4
0.592
EDJ-MED-841e0cf0-4
0.592
EDJ-MED-841e0cf0-3
0.559
EDJ-MED-923a35c2-5
0.559
EDJ-MED-670ad2ee-3
0.559
EDJ-MED-1b5395f9-4
0.545
EDJ-MED-1b5395f9-5
0.545
EDJ-MED-1b5395f9-6
0.545
EDJ-MED-670ad2ee-1
0.539
MIC-UNK-ea4eb352-6
0.539
EDJ-MED-841e0cf0-1
0.539
PET-UNK-bcc8fd08-5
0.538
PET-UNK-03fd2068-3
0.505
PET-UNK-b566c0b0-8
0.495
PET-UNK-03fd2068-5
0.491
MAT-POS-64942dd0-2
0.491
EDJ-MED-923a35c2-2
0.486
MAT-POS-a334828f-3
0.477
EDJ-MED-841e0cf0-2
0.473
MIC-UNK-ea4eb352-10
0.473
EDJ-MED-670ad2ee-2
0.473
PET-UNK-757f8bc8-8
0.464
MAT-POS-c88128cb-12
0.462
PET-UNK-757f8bc8-5
0.460
PET-UNK-9bf1291a-2
0.458
EDJ-MED-b2a1399d-3
0.458
PET-UNK-757f8bc8-6
0.456
PET-UNK-757f8bc8-7
0.455
ALP-POS-c56c1477-4
0.452
MAT-POS-89bd6af1-1
0.452
PET-UNK-03fd2068-11
0.451
PET-UNK-f4e47ebd-29
0.446
EDJ-MED-82bd779b-1
0.443
PET-UNK-6da3dcd8-2
0.443
MAT-POS-81ae2990-3
0.440
PET-UNK-b78139fa-16
0.438
FRA-DIA-6238d354-1
0.438
EDJ-MED-923a35c2-1
0.438
EDJ-MED-670ad2ee-10
0.436
EDJ-MED-841e0cf0-5
0.436
EDJ-MED-841e0cf0-7
0.436
EDJ-MED-670ad2ee-5
0.436
EDJ-MED-670ad2ee-6
0.436
EDJ-MED-670ad2ee-9
0.436
PET-UNK-1b92fa34-8
0.436
PET-UNK-9bf1291a-4
0.434
EDJ-MED-841e0cf0-6
0.432
EDJ-MED-670ad2ee-7
0.432
EDJ-MED-670ad2ee-8
0.432
PET-UNK-03fd2068-7
0.431
PET-UNK-4b4f2bb7-6
0.431
ALP-POS-5290f14d-1
0.427
MIC-UNK-6e9f8a43-1
0.427
JOH-UNI-e398da21-2
0.427
PET-UNK-9bf1291a-1
0.427
MIC-UNK-ea4eb352-2
0.427
PET-UNK-6da3dcd8-12
0.427
BEN-DND-a02b439d-12
0.426
PET-UNK-1b92fa34-6
0.422
PET-UNK-bcc8fd08-4
0.421
PET-UNK-f4e47ebd-28
0.421
PET-UNK-03fd2068-9
0.421
PET-UNK-f4e47ebd-30
0.419
PET-UNK-6da3dcd8-1
0.414
EDJ-MED-2f867453-2
0.413
ALP-POS-e266d783-2
0.413
MAT-POS-89bd6af1-3
0.413
MAT-UNK-28cf4d29-1
0.413
MAT-POS-ec6d90b7-4
0.413
MAT-POS-a5ef2d74-2
0.413
EDJ-MED-611d11e7-4
0.413
MAT-POS-b4d6b7fc-9
0.412
MAT-POS-81ae2990-9
0.412
PET-UNK-6da3dcd8-11
0.409
PET-UNK-bcc8fd08-6
0.407
MAT-POS-c74bc7b3-1
0.406
MAT-POS-c74bc7b3-2
0.406
PET-UNK-b38839dc-22
0.405
PET-UNK-ad758083-1
0.405
MAT-POS-81ae2990-6
0.405
EDG-MED-b8f93667-3
0.402
PET-UNK-0d6841fa-1
0.402
PET-UNK-f4e47ebd-31
0.402
PET-UNK-f4e47ebd-25
0.398
EDJ-MED-1b5395f9-1
0.395
EDJ-MED-1b5395f9-2
0.395
EDJ-MED-1b5395f9-3
0.395
MAT-POS-83f73d0a-3
0.394
PET-UNK-b38839dc-23
0.393
PET-UNK-b566c0b0-7
0.390
PET-UNK-bcc8fd08-2
0.389
MAT-POS-edabd372-2
0.386
MAT-POS-ec6d90b7-5
0.385
EDJ-MED-611d11e7-5
0.385