Molecular Properties | |
SMILES: | CC(C)(CS(=O)(=O)N1Cc2ccccc2C(C(=O)Nc2cncc3ccccc23)C1)S(C)(=O)=O |
MW: | 501.14 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 113.51 |
cLogP: | 2.93 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-dc2604c4-1
EDJ-MED-4fff0a85-2
0.742
EDJ-MED-28cccd0c-4
0.701
EDJ-MED-28cccd0c-3
0.697
EDJ-MED-28cccd0c-1
0.673
EDJ-MED-139368ae-2
0.663
EDJ-MED-139368ae-5
0.653
EDJ-MED-139368ae-3
0.646
EDJ-MED-139368ae-4
0.636
EDJ-MED-139368ae-1
0.630
EDJ-MED-7f6e5b75-1
0.627
PET-UNK-de87a406-1
0.615
EDJ-MED-76744c27-2
0.613
EDJ-MED-76744c27-7
0.613
EDJ-MED-54fbebd8-1
0.606
MAT-POS-bf364d7a-5
0.604
PET-UNK-af70882d-1
0.604
MAT-POS-5cd9ea36-1
0.604
EDJ-MED-76744c27-1
0.604
MAT-POS-bf364d7a-6
0.604
EDJ-MED-54fbebd8-5
0.592
MAT-POS-4223bc15-6
0.584
EDJ-MED-54fbebd8-2
0.580
ANN-CHE-e1757302-2
0.579
EDJ-MED-54fbebd8-3
0.569
EDJ-MED-76744c27-5
0.566
EDJ-MED-54fbebd8-4
0.563
BEN-DND-fa51d92c-21
0.563
BEN-DND-fa51d92c-22
0.558
BEN-DND-fa51d92c-23
0.558
BRU-THA-d60fe444-1
0.558
BRU-THA-4b053743-1
0.556
ALP-POS-c56c1477-1
0.556
BEN-DND-fa51d92c-24
0.553
PET-UNK-af70882d-3
0.551
PET-UNK-af70882d-4
0.551
MAT-POS-5cd9ea36-10
0.550
MAT-POS-dd1fff26-1
0.550
MAT-POS-dd1fff26-2
0.550
MAT-POS-4223bc15-5
0.547
EDJ-MED-76744c27-3
0.542
MAT-POS-5cd9ea36-24
0.542
MAT-POS-dd3ad2b5-4
0.539
MAT-POS-24589f88-2
0.539
MAT-POS-24589f88-3
0.539
ANN-CHE-e1757302-1
0.536
MAT-POS-4223bc15-4
0.536
ALF-EVA-0e90125c-4
0.536
PET-UNK-d61f3ea6-2
0.533
PET-UNK-615ad708-5
0.532
PET-UNK-af70882d-2
0.532
PET-UNK-615ad708-2
0.532
PET-UNK-ff046148-1
0.532
MAT-POS-dc2604c4-1
0.532
MAT-POS-e194df51-1
0.532
MAT-POS-e194df51-2
0.532
JOH-SUS-07b743f6-6
0.532
MAT-POS-dc2604c4-4
0.527
EDJ-MED-76744c27-6
0.527
ALP-POS-395d3f9b-1
0.527
JOH-SUS-07b743f6-2
0.526
MAT-POS-5cd9ea36-9
0.523
MAT-POS-5cd9ea36-11
0.523
MAT-POS-4223bc15-14
0.523
EDJ-MED-76744c27-4
0.522
ALF-EVA-07677224-7
0.522
ALF-EVA-07677224-9
0.522
MAT-POS-bf364d7a-7
0.522
MAT-POS-bf364d7a-8
0.522
JOH-SUS-07b743f6-3
0.522
ALP-POS-07e1ed01-2
0.522
MAT-POS-4223bc15-2
0.519
ANN-CHE-e1757302-5
0.518
ANN-CHE-e1757302-3
0.518
EDJ-MED-4fff0a85-4
0.518
MAT-POS-bf364d7a-3
0.518
MAT-POS-bf364d7a-4
0.518
XIA-UNK-284f966f-1
0.518
PET-UNK-94036022-1
0.518
PET-UNK-94036022-8
0.518
MAT-POS-4223bc15-12
0.518
EDJ-MED-4fff0a85-3
0.518
JOH-SUS-07b743f6-1
0.518
MAT-POS-bf364d7a-1
0.518
MAT-POS-bf364d7a-2
0.518
ANN-CHE-e1757302-4
0.513
XIA-UNK-c8ef6831-1
0.513
MAT-POS-5cd9ea36-12
0.513
MAT-POS-dc2604c4-3
0.513
MAT-POS-dc2604c4-2
0.513
ALP-POS-07e1ed01-1
0.513
MAT-POS-5cd9ea36-8
0.513
MAT-POS-777f5926-3
0.513
MAT-POS-777f5926-4
0.513
MAT-POS-4223bc15-3
0.509
MAT-POS-4223bc15-1
0.509
BEN-DND-32596b04-5
0.509
ALF-EVA-0e90125c-7
0.509
MAT-POS-5cd9ea36-5
0.509
MAT-POS-64942dd0-3
0.505
MAT-POS-5cd9ea36-17
0.505