Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cnn(C)c23)CN(S(C)(=O)=O)Cc2ccc(Cl)cc21 |
MW: | 449.09 |
Fraction sp3: | 0.32 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 106.42 |
cLogP: | 1.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-c761fc18-6
0.723
PET-UNK-c65ea24c-5
0.653
MIC-UNK-ea4eb352-2
0.643
PET-UNK-9bf1291a-1
0.643
ALP-POS-5290f14d-1
0.643
PET-UNK-f4e47ebd-24
0.636
PET-UNK-f4e47ebd-25
0.636
FRA-DIA-6238d354-1
0.634
EDJ-MED-923a35c2-1
0.634
EDJ-MED-923a35c2-5
0.630
EDJ-MED-670ad2ee-3
0.630
EDJ-MED-841e0cf0-3
0.630
PET-UNK-03fd2068-9
0.627
PET-UNK-c761fc18-4
0.626
PET-UNK-c65ea24c-4
0.624
PET-UNK-f4e47ebd-26
0.621
PET-UNK-b38839dc-22
0.621
PET-UNK-f4e47ebd-27
0.618
PET-UNK-c65ea24c-1
0.606
PET-UNK-b38839dc-23
0.606
PET-UNK-b38839dc-21
0.598
PET-UNK-c65ea24c-3
0.594
PET-UNK-c65ea24c-6
0.594
PET-UNK-b78139fa-10
0.586
PET-UNK-c65ea24c-2
0.583
PET-UNK-c761fc18-1
0.574
PET-UNK-c761fc18-3
0.569
PET-UNK-4b4f2bb7-1
0.548
PET-UNK-e274cad4-3
0.544
PET-UNK-f9b7ae87-1
0.543
PET-UNK-c65ea24c-11
0.532
PET-UNK-81b485b5-3
0.514
PET-UNK-81b485b5-17
0.514
PET-UNK-88d26eaf-1
0.514
EDJ-MED-cf877e1d-2
0.514
PET-UNK-757f8bc8-3
0.514
PET-UNK-bcc8fd08-4
0.509
PET-UNK-b566c0b0-8
0.505
PET-UNK-ad758083-1
0.505
PET-UNK-bcc8fd08-5
0.505
PET-UNK-bcc8fd08-6
0.504
PET-UNK-b566c0b0-9
0.504
PET-UNK-b38839dc-25
0.504
PET-UNK-c65ea24c-10
0.500
EDJ-MED-b1cef252-2
0.500
PET-UNK-6da3dcd8-8
0.500
MAT-POS-83a7b0a0-2
0.500
MAT-POS-89bd6af1-2
0.500
PET-UNK-757f8bc8-2
0.496
PET-UNK-757f8bc8-4
0.496
PET-UNK-6da3dcd8-18
0.492
PET-UNK-757f8bc8-1
0.491
PET-UNK-c65ea24c-7
0.487
PET-UNK-b38839dc-26
0.487
PET-UNK-0d6841fa-1
0.487
PET-UNK-c65ea24c-12
0.486
MIC-UNK-ea4eb352-10
0.482
EDJ-MED-841e0cf0-2
0.482
PET-UNK-03fd2068-10
0.482
EDJ-MED-670ad2ee-2
0.482
PET-UNK-b38839dc-24
0.478
EDJ-MED-841e0cf0-1
0.477
EDJ-MED-670ad2ee-1
0.477
MIC-UNK-ea4eb352-6
0.477
PET-UNK-6da3dcd8-5
0.475
PET-UNK-03fd2068-11
0.474
PET-UNK-c65ea24c-8
0.474
PET-UNK-c65ea24c-9
0.473
PET-UNK-6da3dcd8-15
0.471
EDJ-MED-923a35c2-2
0.470
PET-UNK-f4e47ebd-28
0.469
PET-UNK-f4e47ebd-29
0.469
PET-UNK-c65ea24c-17
0.464
PET-UNK-19e211a9-1
0.458
MAT-POS-bfd29aac-1
0.458
PET-UNK-9bf1291a-5
0.455
EDJ-MED-841e0cf0-4
0.455
EDJ-MED-670ad2ee-4
0.455
PET-UNK-f4e47ebd-30
0.453
MAT-POS-89bd6af1-4
0.450
EDJ-MED-b1cef252-1
0.450
MAT-POS-83a7b0a0-1
0.450
PET-UNK-9bf1291a-3
0.450
PET-UNK-f4e47ebd-31
0.448
PET-UNK-9bf1291a-4
0.443
PET-UNK-9bf1291a-2
0.441
PET-UNK-c65ea24c-13
0.435
PET-UNK-c65ea24c-16
0.434
PET-UNK-c761fc18-8
0.432
EDJ-MED-e9a22d5d-2
0.429
PET-UNK-6da3dcd8-2
0.427
PET-UNK-ad758083-2
0.425
PET-UNK-6da3dcd8-12
0.425
PET-UNK-6da3dcd8-1
0.425
PET-UNK-e274cad4-5
0.423
PET-UNK-c65ea24c-15
0.420
PET-UNK-c65ea24c-18
0.420
PET-UNK-6da3dcd8-11
0.419
MIC-UNK-6e9f8a43-1
0.412
JOH-UNI-e398da21-2
0.412