Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4cc(OCC(F)(F)F)ccc34)C2)CC1 |
MW: | 578.1 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 112.39 |
cLogP: | 5.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
Hetero_hetero
MAT-POS-e194df51-1
EDJ-MED-378a25ea-30
0.804
EDJ-MED-be9e6f63-1
0.789
EDJ-MED-be9e6f63-4
0.755
EDJ-MED-7889e8da-4
0.755
EDJ-MED-be9e6f63-2
0.730
EDJ-MED-7889e8da-2
0.730
EDJ-MED-378a25ea-1
0.719
MAT-POS-c7726e07-8
0.711
MAT-POS-c7726e07-7
0.711
EDJ-MED-be9e6f63-3
0.711
EDJ-MED-378a25ea-25
0.711
EDJ-MED-378a25ea-17
0.709
EDJ-MED-7889e8da-6
0.708
EDJ-MED-378a25ea-9
0.708
EDJ-MED-378a25ea-18
0.704
EDJ-MED-378a25ea-21
0.704
MAT-POS-e194df51-2
0.703
MAT-POS-dc2604c4-1
0.703
MAT-POS-e194df51-1
0.703
EDJ-MED-378a25ea-11
0.702
MAT-POS-22373164-4
0.701
EDJ-MED-378a25ea-7
0.698
MAT-POS-22373164-2
0.698
EDJ-MED-378a25ea-31
0.697
ALP-POS-6f6ae286-4
0.696
EDJ-MED-378a25ea-4
0.686
MAT-POS-22373164-3
0.686
MAT-POS-22373164-1
0.684
PET-UNK-19e211a9-5
0.684
EDJ-MED-378a25ea-23
0.684
EDJ-MED-4f4dd660-2
0.684
EDJ-MED-378a25ea-27
0.681
EDJ-MED-4f4dd660-4
0.672
MAT-POS-4223bc15-12
0.670
MAT-POS-bf364d7a-9
0.669
MAT-POS-5cd9ea36-6
0.669
MAT-POS-bf364d7a-10
0.669
EDJ-MED-378a25ea-33
0.661
EDJ-MED-4f4dd660-6
0.661
PET-UNK-19e211a9-9
0.661
MAT-POS-b4d6b7fc-9
0.661
MAT-POS-81ae2990-9
0.661
MAT-POS-5cd9ea36-5
0.658
EDJ-MED-378a25ea-3
0.656
EDJ-MED-378a25ea-13
0.656
PET-UNK-19e211a9-6
0.655
EDJ-MED-378a25ea-15
0.650
JOH-SUS-07b743f6-3
0.647
MAT-POS-78ab8081-2
0.645
PET-UNK-c6bcc80b-1
0.645
PET-UNK-c6bcc80b-8
0.645
PET-UNK-19e211a9-7
0.642
PET-UNK-19e211a9-8
0.642
MAT-POS-bf364d7a-11
0.636
MAT-POS-5cd9ea36-7
0.636
MAT-POS-bf364d7a-12
0.636
EDJ-MED-378a25ea-12
0.636
MAT-POS-777f5926-3
0.636
ALP-POS-07e1ed01-1
0.636
MAT-POS-dc2604c4-3
0.636
MAT-POS-777f5926-4
0.636
MAT-POS-97ec4bd1-2
0.633
EDJ-MED-378a25ea-10
0.630
EDJ-MED-378a25ea-28
0.626
EDJ-MED-378a25ea-6
0.623
EDJ-MED-378a25ea-26
0.620
MAT-POS-2e8b2191-9
0.620
MAT-POS-78ab8081-6
0.620
PET-UNK-19e211a9-10
0.620
MAT-POS-e36d57d9-1
0.620
JOH-UNI-2440d4f3-2
0.619
EDJ-MED-378a25ea-20
0.618
ALP-POS-07e1ed01-2
0.617
PET-UNK-94036022-1
0.615
PET-UNK-94036022-8
0.615
XIA-UNK-284f966f-1
0.615
PET-UNK-19e211a9-4
0.610
EDJ-MED-378a25ea-2
0.610
EDJ-MED-378a25ea-22
0.610
EDJ-MED-378a25ea-24
0.610
MAT-POS-78ab8081-4
0.610
PET-UNK-615ad708-4
0.605
PET-UNK-19e211a9-1
0.605
PET-UNK-615ad708-1
0.605
PET-UNK-19e211a9-3
0.605
MAT-POS-bfd29aac-1
0.605
EDJ-MED-378a25ea-8
0.605
MAT-POS-5c19d660-1
0.603
EDJ-MED-378a25ea-19
0.603
PET-UNK-ff046148-2
0.602
PET-UNK-19e211a9-2
0.602
MAT-POS-bfd29aac-2
0.602
JOH-SUS-07b743f6-6
0.602
EDJ-MED-378a25ea-32
0.602
MAT-POS-81ae2990-8
0.600
ALE-ALC-b4762a05-1
0.600
ALE-ALC-1b189c66-1
0.600
ALE-ALC-3d276b90-1
0.600
ALP-POS-395d3f9b-1
0.597
JOH-SUS-07b743f6-2
0.595