Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4cc(-n5cncn5)ccc34)C2)CC1 |
MW: | 547.12 |
Fraction sp3: | 0.27 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 133.87 |
cLogP: | 3.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-e194df51-1
EDJ-MED-378a25ea-5
0.804
EDJ-MED-378a25ea-4
0.761
EDJ-MED-be9e6f63-4
0.755
EDJ-MED-7889e8da-4
0.755
EDJ-MED-378a25ea-11
0.732
EDJ-MED-7889e8da-2
0.714
EDJ-MED-be9e6f63-2
0.714
EDJ-MED-378a25ea-9
0.708
EDJ-MED-7889e8da-6
0.708
EDJ-MED-be9e6f63-3
0.696
EDJ-MED-378a25ea-25
0.696
MAT-POS-c7726e07-7
0.696
MAT-POS-c7726e07-8
0.696
EDJ-MED-be9e6f63-1
0.696
EDJ-MED-378a25ea-1
0.690
EDJ-MED-378a25ea-18
0.690
EDJ-MED-378a25ea-21
0.690
MAT-POS-e194df51-1
0.688
MAT-POS-e194df51-2
0.688
MAT-POS-dc2604c4-1
0.688
MAT-POS-22373164-3
0.686
EDJ-MED-378a25ea-23
0.684
EDJ-MED-4f4dd660-2
0.684
EDJ-MED-378a25ea-7
0.684
MAT-POS-22373164-1
0.684
MAT-POS-22373164-2
0.684
ALP-POS-6f6ae286-4
0.681
EDJ-MED-378a25ea-33
0.675
MAT-POS-22373164-4
0.672
EDJ-MED-4f4dd660-4
0.672
EDJ-MED-378a25ea-13
0.669
EDJ-MED-378a25ea-17
0.667
EDJ-MED-378a25ea-27
0.667
EDJ-MED-378a25ea-12
0.664
EDJ-MED-4f4dd660-6
0.661
EDJ-MED-378a25ea-29
0.656
EDJ-MED-378a25ea-31
0.656
MAT-POS-4223bc15-12
0.655
EDJ-MED-378a25ea-15
0.650
EDJ-MED-378a25ea-6
0.650
MAT-POS-b4d6b7fc-9
0.647
MAT-POS-81ae2990-9
0.647
MAT-POS-5cd9ea36-5
0.644
PET-UNK-19e211a9-6
0.642
MAT-POS-5cd9ea36-6
0.642
MAT-POS-bf364d7a-9
0.642
MAT-POS-bf364d7a-10
0.642
PET-UNK-19e211a9-5
0.642
MAT-POS-78ab8081-6
0.633
PET-UNK-19e211a9-10
0.633
JOH-SUS-07b743f6-3
0.632
PET-UNK-c6bcc80b-8
0.631
PET-UNK-c6bcc80b-1
0.631
EDJ-MED-378a25ea-10
0.630
PET-UNK-19e211a9-8
0.628
ALE-ALC-b4762a05-1
0.627
ALE-ALC-1b189c66-1
0.627
ALE-ALC-3d276b90-1
0.627
MAT-POS-5cd9ea36-7
0.623
MAT-POS-bf364d7a-11
0.623
MAT-POS-bf364d7a-12
0.623
MAT-POS-777f5926-3
0.622
MAT-POS-777f5926-4
0.622
MAT-POS-dc2604c4-3
0.622
ALP-POS-07e1ed01-1
0.622
PET-UNK-19e211a9-9
0.620
MAT-POS-2e8b2191-9
0.620
EDJ-MED-378a25ea-26
0.620
MAT-POS-e36d57d9-1
0.620
MAT-POS-97ec4bd1-2
0.620
MAT-POS-b4d6b7fc-8
0.619
MAT-POS-81ae2990-7
0.619
PET-UNK-19e211a9-2
0.615
MAT-POS-bfd29aac-2
0.615
PET-UNK-19e211a9-7
0.615
EDJ-MED-378a25ea-28
0.613
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
MAT-POS-bfd29aac-1
0.605
PET-UNK-19e211a9-3
0.605
PET-UNK-615ad708-1
0.605
PET-UNK-19e211a9-1
0.605
EDJ-MED-378a25ea-8
0.605
EDJ-MED-378a25ea-20
0.605
ALP-POS-07e1ed01-2
0.603
EDJ-MED-378a25ea-34
0.603
XIA-UNK-284f966f-1
0.602
PET-UNK-94036022-1
0.602
PET-UNK-94036022-8
0.602
EDJ-MED-378a25ea-14
0.598
ALE-ALC-e1a61ec1-1
0.598
ALE-ALC-6d799671-1
0.592
ALE-ALC-40a91b97-1
0.592
JOH-UNI-2440d4f3-2
0.592
EDJ-MED-378a25ea-19
0.591
EDJ-MED-378a25ea-30
0.591