Molecular Properties | |
SMILES: | CC1(CS(=O)(=O)N2Cc3ccccc3C(C(=O)Nc3cncc4ccccc34)C2)CS(=O)(=O)C1 |
MW: | 499.12 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 113.51 |
cLogP: | 2.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
Hetero_hetero
MAT-POS-dc2604c4-1
EDJ-MED-4fff0a85-3
0.752
MAT-POS-bf364d7a-1
0.752
MAT-POS-bf364d7a-2
0.752
EDJ-MED-28cccd0c-4
0.724
EDJ-MED-28cccd0c-2
0.697
EDJ-MED-28cccd0c-1
0.663
EDJ-MED-139368ae-5
0.644
EDJ-MED-139368ae-2
0.636
MAT-POS-5cd9ea36-10
0.632
MAT-POS-dd1fff26-1
0.632
MAT-POS-dd1fff26-2
0.632
EDJ-MED-139368ae-3
0.621
ALF-EVA-07677224-9
0.615
EDJ-MED-139368ae-4
0.612
EDJ-MED-139368ae-1
0.606
EDJ-MED-54fbebd8-1
0.583
EDJ-MED-ede277f6-10
0.579
MAT-POS-5cd9ea36-9
0.573
PET-UNK-615ad708-5
0.569
PET-UNK-615ad708-2
0.569
PET-UNK-ff046148-1
0.569
EDJ-MED-ede277f6-12
0.565
BRU-THA-4b053743-1
0.564
ALP-POS-c56c1477-1
0.564
MAT-POS-4223bc15-6
0.562
MAT-POS-78ab8081-3
0.559
EDJ-MED-54fbebd8-2
0.558
EDJ-MED-76744c27-4
0.558
ALF-EVA-07677224-7
0.558
MAT-POS-bf364d7a-7
0.558
MAT-POS-bf364d7a-8
0.558
ALP-POS-07e1ed01-2
0.557
EDJ-MED-54fbebd8-5
0.556
MAT-POS-dc2604c4-1
0.554
MAT-POS-e194df51-1
0.554
MAT-POS-e194df51-2
0.554
XIA-UNK-284f966f-1
0.554
PET-UNK-94036022-1
0.554
PET-UNK-94036022-8
0.554
JOH-SUS-07b743f6-6
0.554
MAT-POS-bf364d7a-11
0.551
MAT-POS-bf364d7a-12
0.551
MAT-POS-666635d5-2
0.551
MAT-POS-83f73d0a-1
0.551
MAT-POS-78ab8081-5
0.551
MAT-POS-5cd9ea36-7
0.551
XIA-UNK-c8ef6831-1
0.549
ALP-POS-395d3f9b-1
0.549
MAT-POS-dc2604c4-2
0.548
JOH-SUS-07b743f6-2
0.548
EDJ-MED-54fbebd8-3
0.547
BEN-DND-fa51d92c-24
0.547
PET-UNK-af70882d-4
0.545
EDJ-MED-76744c27-5
0.545
JOH-SUS-07b743f6-3
0.544
EDJ-MED-54fbebd8-4
0.542
EDJ-MED-4fff0a85-4
0.540
MAT-POS-bf364d7a-3
0.540
MAT-POS-bf364d7a-4
0.540
MAT-POS-4223bc15-12
0.539
JOH-SUS-07b743f6-1
0.539
BEN-DND-fa51d92c-23
0.537
BRU-THA-d60fe444-1
0.537
EDJ-MED-76744c27-3
0.536
MAT-POS-dc2604c4-3
0.534
ALP-POS-07e1ed01-1
0.534
MAT-POS-5cd9ea36-8
0.534
MAT-POS-777f5926-3
0.534
MAT-POS-777f5926-4
0.534
PET-UNK-af70882d-3
0.532
EDJ-MED-7f6e5b75-1
0.532
ANN-CHE-e1757302-2
0.531
MAT-POS-5cd9ea36-5
0.530
MAT-POS-5cd9ea36-6
0.529
MAT-POS-bf364d7a-9
0.529
MAT-POS-bf364d7a-10
0.529
BEN-DND-fa51d92c-21
0.528
MAT-POS-4223bc15-5
0.527
BEN-DND-fa51d92c-22
0.523
MAT-POS-5cd9ea36-24
0.523
PET-UNK-de87a406-1
0.522
MAT-POS-dd3ad2b5-4
0.519
MAT-POS-24589f88-2
0.519
MAT-POS-24589f88-3
0.519
ALF-EVA-0e90125c-4
0.518
EDJ-MED-4fff0a85-2
0.518
MAT-POS-5cd9ea36-11
0.518
MAT-POS-4223bc15-4
0.518
EDJ-MED-487c5e9f-3
0.517
PET-UNK-af70882d-2
0.513
MAT-POS-5cd9ea36-1
0.513
MAT-POS-bf364d7a-5
0.513
PET-UNK-af70882d-1
0.513
EDJ-MED-76744c27-1
0.513
MAT-POS-bf364d7a-6
0.513
MAT-POS-78ab8081-1
0.512
MAT-POS-83f73d0a-2
0.512
MAT-POS-dc2604c4-4
0.509
EDJ-MED-76744c27-6
0.509
EDJ-MED-76744c27-2
0.509