Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccc(OCC(F)(F)F)cc34)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
MAT-POS-78ab8081-2
0.805
EDJ-MED-378a25ea-29
0.804
PET-UNK-19e211a9-9
0.798
MAT-POS-b4d6b7fc-9
0.752
MAT-POS-81ae2990-9
0.752
EDJ-MED-378a25ea-12
0.723
MAT-POS-97ec4bd1-2
0.719
EDJ-MED-378a25ea-10
0.717
EDJ-MED-378a25ea-24
0.707
PET-UNK-19e211a9-10
0.704
EDJ-MED-378a25ea-26
0.704
MAT-POS-2e8b2191-9
0.704
MAT-POS-e36d57d9-1
0.704
MAT-POS-78ab8081-6
0.704
MAT-POS-dc2604c4-1
0.703
MAT-POS-e194df51-1
0.703
MAT-POS-e194df51-2
0.703
EDJ-MED-378a25ea-28
0.695
EDJ-MED-378a25ea-2
0.692
EDJ-MED-378a25ea-22
0.692
MAT-POS-78ab8081-4
0.692
EDJ-MED-378a25ea-6
0.692
EDJ-MED-378a25ea-20
0.686
EDJ-MED-378a25ea-8
0.686
PET-UNK-19e211a9-5
0.684
EDJ-MED-7889e8da-4
0.676
EDJ-MED-be9e6f63-4
0.676
MAT-POS-4223bc15-12
0.670
PET-UNK-19e211a9-7
0.669
EDJ-MED-378a25ea-5
0.669
EDJ-MED-378a25ea-19
0.669
EDJ-MED-378a25ea-34
0.669
MAT-POS-83f73d0a-2
0.669
MAT-POS-78ab8081-1
0.669
EDJ-MED-be9e6f63-1
0.667
EDJ-MED-378a25ea-16
0.664
EDJ-MED-378a25ea-14
0.664
MAT-POS-5cd9ea36-5
0.658
MAT-POS-bf364d7a-9
0.655
PET-UNK-19e211a9-6
0.655
PET-UNK-19e211a9-8
0.655
MAT-POS-5cd9ea36-6
0.655
MAT-POS-bf364d7a-10
0.655
EDJ-MED-be9e6f63-2
0.655
EDJ-MED-7889e8da-2
0.655
EDJ-MED-378a25ea-32
0.653
EDJ-MED-be9e6f63-3
0.653
EDJ-MED-378a25ea-25
0.653
MAT-POS-c7726e07-7
0.653
MAT-POS-c7726e07-8
0.653
PET-UNK-c6bcc80b-8
0.645
PET-UNK-c6bcc80b-1
0.645
MAT-POS-22373164-2
0.642
MAT-POS-81ae2990-8
0.641
MAT-POS-5cd9ea36-7
0.636
MAT-POS-bf364d7a-11
0.636
MAT-POS-bf364d7a-12
0.636
ALP-POS-07e1ed01-1
0.636
MAT-POS-777f5926-4
0.636
EDJ-MED-7889e8da-6
0.636
MAT-POS-dc2604c4-3
0.636
EDJ-MED-378a25ea-9
0.636
MAT-POS-777f5926-3
0.636
EDJ-MED-378a25ea-1
0.633
EDJ-MED-378a25ea-18
0.633
JOH-SUS-07b743f6-3
0.632
MAT-POS-22373164-3
0.631
MAT-POS-22373164-4
0.631
EDJ-MED-378a25ea-11
0.630
ALP-POS-6f6ae286-4
0.625
MAT-POS-81ae2990-3
0.624
EDJ-MED-378a25ea-21
0.620
JOH-UNI-2440d4f3-2
0.619
ALP-POS-07e1ed01-2
0.617
PET-UNK-94036022-1
0.615
PET-UNK-94036022-8
0.615
XIA-UNK-284f966f-1
0.615
EDJ-MED-378a25ea-23
0.615
EDJ-MED-4f4dd660-2
0.615
EDJ-MED-378a25ea-7
0.615
MAT-POS-22373164-1
0.615
EDJ-MED-378a25ea-17
0.613
EDJ-MED-378a25ea-27
0.613
PET-UNK-19e211a9-4
0.610
MAT-POS-81ae2990-6
0.608
MAT-POS-5c19d660-2
0.607
MAT-POS-bfd29aac-1
0.605
MAT-POS-81ae2990-7
0.605
PET-UNK-615ad708-4
0.605
PET-UNK-19e211a9-1
0.605
PET-UNK-19e211a9-3
0.605
PET-UNK-615ad708-1
0.605
MAT-POS-b4d6b7fc-8
0.605
EDJ-MED-4f4dd660-4
0.605
EDJ-MED-378a25ea-4
0.605
EDJ-MED-378a25ea-31
0.603
PET-UNK-19e211a9-2
0.602
MAT-POS-bfd29aac-2
0.602
ALE-ALC-b4762a05-1
0.600
ALE-ALC-1b189c66-1
0.600