Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3c(F)cc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1 |
MW: | 498.09 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.16 |
cLogP: | 4.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-2337ec19-3
1.000
ALP-POS-c56c1477-2
0.808
MAT-POS-e194df51-1
0.728
MAT-POS-e194df51-2
0.728
MAT-POS-dc2604c4-1
0.728
PET-UNK-2337ec19-2
0.698
PET-UNK-2337ec19-4
0.698
ALP-POS-c56c1477-1
0.692
BRU-THA-4b053743-1
0.692
MAT-POS-4223bc15-12
0.692
MAT-POS-5cd9ea36-5
0.679
MAT-POS-dc2604c4-3
0.670
ALP-POS-07e1ed01-1
0.670
MAT-POS-777f5926-3
0.670
MAT-POS-777f5926-4
0.670
MAT-POS-5cd9ea36-6
0.661
MAT-POS-bf364d7a-9
0.661
MAT-POS-bf364d7a-10
0.661
MAT-POS-5cd9ea36-7
0.655
MAT-POS-bf364d7a-11
0.655
MAT-POS-bf364d7a-12
0.655
JOH-SUS-07b743f6-3
0.651
ALP-POS-07e1ed01-2
0.634
XIA-UNK-284f966f-1
0.633
PET-UNK-94036022-1
0.633
PET-UNK-94036022-8
0.633
JOH-SUS-07b743f6-6
0.604
JOH-SUS-07b743f6-1
0.602
XIA-UNK-c8ef6831-1
0.598
ALP-POS-c56c1477-3
0.598
MAT-POS-2e8b2191-6
0.598
JOH-SUS-07b743f6-2
0.596
MAT-POS-5cd9ea36-9
0.595
MAT-POS-b4d6b7fc-9
0.593
MAT-POS-81ae2990-9
0.593
PET-UNK-615ad708-5
0.591
PET-UNK-615ad708-2
0.591
PET-UNK-ff046148-1
0.591
EDJ-MED-be9e6f63-2
0.588
EDJ-MED-7889e8da-2
0.588
ALP-POS-395d3f9b-1
0.584
MAT-POS-5cd9ea36-8
0.583
MAT-POS-dd1fff26-1
0.580
MAT-POS-dd1fff26-2
0.580
MAT-POS-5cd9ea36-10
0.580
EDJ-MED-7889e8da-4
0.577
EDJ-MED-be9e6f63-4
0.577
BRU-THA-d60fe444-1
0.574
MAT-POS-5cd9ea36-24
0.573
MAT-POS-4223bc15-6
0.570
MAT-POS-acfe5bae-4
0.569
TET-ENA-df1c4375-1
0.569
MAT-POS-dc2604c4-2
0.569
ALF-EVA-07677224-7
0.565
ALF-EVA-07677224-9
0.565
MAT-POS-bf364d7a-8
0.565
EDJ-MED-76744c27-4
0.565
MAT-POS-bf364d7a-7
0.565
DAR-DIA-5e50e037-1
0.561
ALP-POS-6f6ae286-4
0.559
EDJ-MED-be9e6f63-3
0.559
MAT-POS-c7726e07-8
0.559
EDJ-MED-378a25ea-25
0.559
MAT-POS-c7726e07-7
0.559
MAT-POS-dc2604c4-4
0.558
EDJ-MED-76744c27-6
0.558
EDJ-MED-378a25ea-9
0.556
EDJ-MED-7889e8da-6
0.556
PET-UNK-af70882d-4
0.554
MAT-POS-5cd9ea36-11
0.553
MAT-POS-4223bc15-4
0.553
EDJ-MED-378a25ea-11
0.551
MAT-POS-22373164-2
0.550
MAT-POS-4223bc15-5
0.550
PET-UNK-af70882d-2
0.549
PET-UNK-af70882d-1
0.548
MAT-POS-bf364d7a-5
0.548
MAT-POS-5cd9ea36-1
0.548
EDJ-MED-76744c27-1
0.548
MAT-POS-bf364d7a-6
0.548
MAT-POS-bf364d7a-1
0.547
EDJ-MED-4fff0a85-3
0.547
MAT-POS-bf364d7a-2
0.547
EDJ-MED-378a25ea-2
0.545
MAT-POS-78ab8081-4
0.545
EDJ-MED-76744c27-3
0.545
PET-UNK-de87a406-1
0.544
MAT-POS-5cd9ea36-12
0.543
EDJ-MED-378a25ea-12
0.542
EDJ-MED-378a25ea-1
0.542
EDJ-MED-378a25ea-18
0.542
MAT-POS-22373164-3
0.541
MAT-POS-22373164-4
0.541
PET-UNK-af70882d-3
0.540
EDJ-MED-76744c27-5
0.540
EDJ-MED-7f6e5b75-1
0.540
EDJ-MED-4fff0a85-2
0.539
MAT-POS-4223bc15-14
0.539
EDJ-MED-378a25ea-10
0.538
PET-UNK-19e211a9-5
0.537