Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4cc(C(=O)NC5CC5)ccc34)C2)CC1 |
MW: | 563.14 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 132.26 |
cLogP: | 3.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-e194df51-1
EDJ-MED-378a25ea-31
0.887
EDJ-MED-378a25ea-1
0.830
EDJ-MED-378a25ea-19
0.802
EDJ-MED-be9e6f63-4
0.769
EDJ-MED-7889e8da-4
0.769
EDJ-MED-378a25ea-7
0.757
EDJ-MED-be9e6f63-2
0.727
EDJ-MED-7889e8da-2
0.727
EDJ-MED-be9e6f63-1
0.723
EDJ-MED-378a25ea-9
0.721
EDJ-MED-7889e8da-6
0.721
EDJ-MED-378a25ea-32
0.720
EDJ-MED-378a25ea-18
0.717
EDJ-MED-378a25ea-11
0.714
EDJ-MED-378a25ea-29
0.709
EDJ-MED-378a25ea-25
0.708
MAT-POS-c7726e07-8
0.708
EDJ-MED-be9e6f63-3
0.708
MAT-POS-c7726e07-7
0.708
EDJ-MED-378a25ea-21
0.702
MAT-POS-e194df51-1
0.700
MAT-POS-e194df51-2
0.700
MAT-POS-dc2604c4-1
0.700
MAT-POS-22373164-4
0.698
MAT-POS-22373164-1
0.696
MAT-POS-22373164-2
0.696
EDJ-MED-378a25ea-23
0.696
EDJ-MED-4f4dd660-2
0.696
ALP-POS-6f6ae286-4
0.693
EDJ-MED-378a25ea-4
0.684
MAT-POS-22373164-3
0.684
PET-UNK-c6bcc80b-8
0.684
EDJ-MED-4f4dd660-4
0.684
PET-UNK-c6bcc80b-1
0.684
EDJ-MED-378a25ea-27
0.678
EDJ-MED-378a25ea-2
0.675
MAT-POS-78ab8081-4
0.675
EDJ-MED-378a25ea-33
0.672
EDJ-MED-4f4dd660-6
0.672
EDJ-MED-378a25ea-3
0.667
EDJ-MED-378a25ea-13
0.667
MAT-POS-4223bc15-12
0.667
EDJ-MED-378a25ea-15
0.661
MAT-POS-81ae2990-9
0.658
MAT-POS-b4d6b7fc-9
0.658
MAT-POS-5cd9ea36-5
0.655
PET-UNK-19e211a9-5
0.653
MAT-POS-bf364d7a-9
0.653
MAT-POS-bf364d7a-10
0.653
MAT-POS-5cd9ea36-6
0.653
PET-UNK-19e211a9-6
0.653
EDJ-MED-378a25ea-12
0.647
MAT-POS-97ec4bd1-2
0.644
JOH-SUS-07b743f6-3
0.643
EDJ-MED-378a25ea-8
0.642
EDJ-MED-378a25ea-10
0.641
PET-UNK-19e211a9-8
0.639
ALE-ALC-3d276b90-1
0.638
EDJ-MED-378a25ea-24
0.633
MAT-POS-bf364d7a-11
0.633
MAT-POS-5cd9ea36-7
0.633
MAT-POS-bf364d7a-12
0.633
MAT-POS-e36d57d9-1
0.630
EDJ-MED-378a25ea-26
0.630
MAT-POS-2e8b2191-9
0.630
PET-UNK-19e211a9-9
0.630
PET-UNK-19e211a9-10
0.630
MAT-POS-78ab8081-6
0.630
EDJ-MED-378a25ea-20
0.628
PET-UNK-19e211a9-7
0.625
EDJ-MED-378a25ea-28
0.623
PET-UNK-19e211a9-4
0.621
EDJ-MED-378a25ea-6
0.620
EDJ-MED-378a25ea-22
0.620
MAT-POS-777f5926-4
0.619
MAT-POS-777f5926-3
0.619
MAT-POS-dc2604c4-3
0.619
ALP-POS-07e1ed01-1
0.619
PET-UNK-615ad708-4
0.615
PET-UNK-19e211a9-1
0.615
MAT-POS-bfd29aac-1
0.615
PET-UNK-19e211a9-3
0.615
PET-UNK-615ad708-1
0.615
ALP-POS-07e1ed01-2
0.613
EDJ-MED-378a25ea-30
0.613
PET-UNK-19e211a9-2
0.612
MAT-POS-bfd29aac-2
0.612
PET-UNK-94036022-1
0.612
XIA-UNK-284f966f-1
0.612
PET-UNK-94036022-8
0.612
ALE-ALC-b4762a05-1
0.610
ALE-ALC-1b189c66-1
0.610
MAT-POS-b4d6b7fc-8
0.602
MAT-POS-81ae2990-7
0.602
EDJ-MED-378a25ea-5
0.600
EDJ-MED-378a25ea-34
0.600
JOH-SUS-07b743f6-6
0.598
PET-UNK-ff046148-2
0.598
MAT-POS-81ae2990-8
0.597
EDJ-MED-378a25ea-14
0.595