Molecular Properties | |
SMILES: | CC1(CS(=O)(=O)N2CCc3ccc(Cl)cc3C2C(=O)Nc2cncc3ccccc23)CS(=O)(=O)C1 |
MW: | 533.08 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 113.51 |
cLogP: | 3.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
Hetero_hetero
EDJ-MED-036ae2e9-3
0.768
EDJ-MED-036ae2e9-12
0.752
EDJ-MED-036ae2e9-9
0.745
EDJ-MED-036ae2e9-10
0.727
EDJ-MED-036ae2e9-11
0.725
EDJ-MED-036ae2e9-7
0.720
EDJ-MED-487c5e9f-12
0.713
EDJ-MED-2791eece-6
0.701
EDJ-MED-b774e9fe-2
0.701
EDJ-MED-2791eece-11
0.690
EDJ-MED-b774e9fe-3
0.680
EDJ-MED-2791eece-8
0.680
EDJ-MED-2791eece-10
0.663
EDJ-MED-487c5e9f-10
0.651
EDJ-MED-487c5e9f-9
0.644
EDJ-MED-487c5e9f-2
0.642
EDJ-MED-487c5e9f-5
0.639
EDJ-MED-4fff0a85-3
0.631
MAT-POS-bf364d7a-1
0.631
MAT-POS-bf364d7a-2
0.631
EDJ-MED-487c5e9f-8
0.624
EDJ-MED-487c5e9f-7
0.620
EDJ-MED-487c5e9f-11
0.615
EDJ-MED-487c5e9f-6
0.609
MAT-POS-fb82b63d-3
0.604
EDJ-MED-2791eece-2
0.592
ALP-POS-d054b76b-2
0.592
EDJ-MED-b774e9fe-1
0.592
EDJ-MED-2791eece-4
0.583
EDJ-MED-2791eece-12
0.581
EDJ-MED-2791eece-7
0.578
EDJ-MED-036ae2e9-2
0.575
EDJ-MED-2791eece-5
0.574
EDJ-MED-036ae2e9-1
0.571
MAT-POS-fb82b63d-4
0.570
EDJ-MED-2791eece-1
0.570
EDJ-MED-2791eece-3
0.564
EDJ-MED-036ae2e9-6
0.559
EDJ-MED-036ae2e9-8
0.544
EDJ-MED-487c5e9f-4
0.544
MAT-POS-5cd9ea36-10
0.539
EDJ-MED-2791eece-9
0.539
MAT-POS-dd1fff26-1
0.539
MAT-POS-dd1fff26-2
0.539
EDJ-MED-036ae2e9-5
0.534
EDJ-MED-036ae2e9-4
0.526
EDJ-MED-487c5e9f-1
0.526
ALF-EVA-07677224-9
0.525
ALP-POS-d054b76b-4
0.522
EDJ-MED-28cccd0c-3
0.517
MAT-POS-dd3ad2b5-4
0.514
MAT-POS-24589f88-2
0.514
MAT-POS-24589f88-3
0.514
MAT-POS-4223bc15-6
0.514
MAT-POS-5cd9ea36-9
0.513
EDJ-MED-76744c27-5
0.500
JOH-SUS-07b743f6-3
0.500
ALP-POS-07e1ed01-2
0.500
MAT-POS-5cd9ea36-7
0.496
MAT-POS-bf364d7a-11
0.496
MAT-POS-bf364d7a-12
0.496
MAT-POS-dc2604c4-1
0.496
EDJ-MED-4fff0a85-4
0.496
MAT-POS-e194df51-1
0.496
MAT-POS-e194df51-2
0.496
XIA-UNK-284f966f-1
0.496
MAT-POS-bf364d7a-3
0.496
MAT-POS-bf364d7a-4
0.496
PET-UNK-94036022-1
0.496
PET-UNK-94036022-8
0.496
PET-UNK-615ad708-5
0.496
PET-UNK-ff046148-1
0.496
PET-UNK-615ad708-2
0.496
MAT-POS-fb82b63d-1
0.495
EDJ-MED-76744c27-3
0.491
BRU-THA-d60fe444-1
0.491
ALF-EVA-07677224-7
0.488
EDJ-MED-76744c27-4
0.488
MAT-POS-bf364d7a-7
0.488
MAT-POS-bf364d7a-8
0.488
EDJ-MED-4fff0a85-2
0.487
PET-UNK-af70882d-3
0.487
PET-UNK-af70882d-4
0.487
EDJ-MED-7f6e5b75-1
0.487
MAT-POS-4223bc15-1
0.487
EDJ-MED-ede277f6-10
0.484
MAT-POS-4223bc15-12
0.484
JOH-SUS-07b743f6-6
0.483
PET-UNK-af70882d-2
0.483
MAT-POS-4223bc15-5
0.483
MAT-POS-5cd9ea36-17
0.483
DAR-DIA-4987d2cd-4
0.482
MAT-POS-4223bc15-2
0.482
RAL-THA-ee48ba5f-5
0.482
PET-UNK-d61f3ea6-2
0.482
BEN-DND-f2e727cd-6
0.482
MAT-POS-dd3ad2b5-1
0.482
MIC-UNK-91acba05-4
0.481
ALP-POS-477dc5b7-1
0.481
MAT-POS-dc2604c4-3
0.480