Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cnsc23)CN(S(C)(=O)=O)Cc2ccc(Cl)cc21 |
MW: | 452.04 |
Fraction sp3: | 0.28 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 101.49 |
cLogP: | 2.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-f4e47ebd-25
PET-UNK-b1ef24dc-29
EDJ-MED-d2def222-2
JIN-POS-6dc588a4-22
RUB-POS-1325a9ea-13
PET-UNK-88d26eaf-1
RUB-POS-1325a9ea-12
EDJ-MED-d2def222-1
PET-UNK-9bf1291a-3
PET-UNK-6314f867-2
PET-UNK-b1ef24dc-1
PET-UNK-b1ef24dc-4
PET-UNK-b1ef24dc-33
RUB-POS-1325a9ea-14
PET-UNK-c65ea24c-10
0.806
PET-UNK-c65ea24c-16
0.723
PET-UNK-c65ea24c-2
0.663
PET-UNK-c65ea24c-5
0.653
PET-UNK-9bf1291a-1
0.643
MIC-UNK-ea4eb352-2
0.643
ALP-POS-5290f14d-1
0.643
PET-UNK-f4e47ebd-25
0.636
PET-UNK-f4e47ebd-24
0.636
PET-UNK-c761fc18-6
0.636
PET-UNK-f4e47ebd-27
0.634
EDJ-MED-841e0cf0-3
0.630
EDJ-MED-670ad2ee-3
0.630
EDJ-MED-923a35c2-5
0.630
PET-UNK-03fd2068-9
0.627
PET-UNK-c761fc18-2
0.624
PET-UNK-c65ea24c-1
0.621
FRA-DIA-6238d354-1
0.618
EDJ-MED-923a35c2-1
0.618
PET-UNK-c65ea24c-6
0.610
PET-UNK-f4e47ebd-26
0.606
PET-UNK-b38839dc-22
0.606
PET-UNK-b38839dc-23
0.606
PET-UNK-b38839dc-21
0.598
PET-UNK-c65ea24c-3
0.594
PET-UNK-0df12184-3
0.564
PET-UNK-b1ef24dc-26
0.559
PET-UNK-ab76d8f6-4
0.544
PET-UNK-c65ea24c-8
0.541
PET-UNK-c65ea24c-11
0.532
EDJ-MED-cf877e1d-2
0.514
PET-UNK-88d26eaf-1
0.514
PET-UNK-757f8bc8-3
0.514
EDJ-MED-b1cef252-2
0.513
MAT-POS-89bd6af1-2
0.513
MAT-POS-83a7b0a0-2
0.513
PET-UNK-6da3dcd8-8
0.513
PET-UNK-757f8bc8-4
0.509
PET-UNK-b566c0b0-8
0.505
PET-UNK-ad758083-1
0.505
PET-UNK-b566c0b0-9
0.504
PET-UNK-6da3dcd8-18
0.504
PET-UNK-c65ea24c-12
0.500
PET-UNK-c65ea24c-7
0.500
PET-UNK-757f8bc8-2
0.496
PET-UNK-bcc8fd08-4
0.495
PET-UNK-b1ef24dc-30
0.495
PET-UNK-757f8bc8-1
0.491
PET-UNK-bcc8fd08-6
0.491
PET-UNK-b38839dc-25
0.491
PET-UNK-bcc8fd08-5
0.491
EDJ-MED-841e0cf0-1
0.491
MIC-UNK-ea4eb352-6
0.491
EDJ-MED-670ad2ee-1
0.491
PET-UNK-b38839dc-26
0.487
PET-UNK-0d6841fa-1
0.487
EDJ-MED-841e0cf0-2
0.482
EDJ-MED-670ad2ee-2
0.482
PET-UNK-03fd2068-10
0.482
MIC-UNK-ea4eb352-10
0.482
PET-UNK-b38839dc-24
0.478
PET-UNK-c65ea24c-14
0.477
PET-UNK-6da3dcd8-5
0.475
PET-UNK-03fd2068-11
0.474
PET-UNK-c65ea24c-9
0.473
PET-UNK-6da3dcd8-15
0.471
PET-UNK-f4e47ebd-28
0.469
PET-UNK-f4e47ebd-29
0.469
PET-UNK-c65ea24c-17
0.464
PET-UNK-f4e47ebd-31
0.461
PET-UNK-b1ef24dc-34
0.459
EDJ-MED-923a35c2-2
0.457
EDJ-MED-b1cef252-1
0.450
MAT-POS-83a7b0a0-1
0.450
MAT-POS-89bd6af1-4
0.450
PET-UNK-9bf1291a-3
0.450
PET-UNK-c65ea24c-13
0.447
PET-UNK-9bf1291a-5
0.442
PET-UNK-9bf1291a-2
0.441
PET-UNK-f4e47ebd-30
0.441
PET-UNK-c65ea24c-18
0.432
PET-UNK-9b23ef84-12
0.432
PET-UNK-9bf1291a-4
0.431
EDJ-MED-e9a22d5d-2
0.429
PET-UNK-6da3dcd8-2
0.427
PET-UNK-ad758083-2
0.425
PET-UNK-6da3dcd8-1
0.425
PET-UNK-6da3dcd8-12
0.425
PET-UNK-b1ef24dc-18
0.422
PET-UNK-9b23ef84-4
0.420
PET-UNK-c65ea24c-15
0.420
PET-UNK-6da3dcd8-11
0.419
EDJ-MED-841e0cf0-4
0.416
EDJ-MED-670ad2ee-4
0.416
MIC-UNK-6e9f8a43-1
0.412
JOH-UNI-e398da21-2
0.412
PET-UNK-9b23ef84-8
0.408
PET-UNK-0d6841fa-2
0.407
PET-UNK-b1ef24dc-6
0.400
PET-UNK-b1ef24dc-22
0.394