Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccc(-n5cnnc5)cc34)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-4
0.806
EDJ-MED-378a25ea-5
0.768
EDJ-MED-378a25ea-12
0.766
MAT-POS-81ae2990-9
0.764
MAT-POS-b4d6b7fc-9
0.764
EDJ-MED-378a25ea-10
0.759
PET-UNK-19e211a9-10
0.745
MAT-POS-78ab8081-6
0.745
EDJ-MED-378a25ea-22
0.732
MAT-POS-97ec4bd1-2
0.730
PET-UNK-19e211a9-9
0.730
MAT-POS-2e8b2191-9
0.730
MAT-POS-e36d57d9-1
0.730
EDJ-MED-378a25ea-26
0.730
EDJ-MED-378a25ea-8
0.726
MAT-POS-78ab8081-4
0.717
EDJ-MED-378a25ea-24
0.717
EDJ-MED-378a25ea-2
0.717
MAT-POS-dc2604c4-1
0.713
MAT-POS-e194df51-2
0.713
MAT-POS-e194df51-1
0.713
EDJ-MED-378a25ea-20
0.711
EDJ-MED-378a25ea-28
0.704
EDJ-MED-be9e6f63-4
0.701
EDJ-MED-7889e8da-4
0.701
MAT-POS-78ab8081-2
0.695
PET-UNK-19e211a9-8
0.693
EDJ-MED-378a25ea-30
0.692
EDJ-MED-378a25ea-19
0.692
EDJ-MED-378a25ea-34
0.692
EDJ-MED-378a25ea-14
0.686
EDJ-MED-378a25ea-16
0.686
MAT-POS-4223bc15-12
0.679
PET-UNK-19e211a9-6
0.678
PET-UNK-19e211a9-7
0.678
EDJ-MED-378a25ea-32
0.675
EDJ-MED-378a25ea-21
0.670
MAT-POS-5cd9ea36-5
0.667
EDJ-MED-378a25ea-11
0.667
PET-UNK-19e211a9-5
0.664
EDJ-MED-be9e6f63-2
0.664
EDJ-MED-7889e8da-2
0.664
EDJ-MED-be9e6f63-1
0.661
EDJ-MED-be9e6f63-3
0.661
EDJ-MED-378a25ea-25
0.661
MAT-POS-c7726e07-8
0.661
MAT-POS-c7726e07-7
0.661
EDJ-MED-7889e8da-6
0.658
EDJ-MED-378a25ea-9
0.658
EDJ-MED-378a25ea-18
0.655
PET-UNK-c6bcc80b-1
0.653
PET-UNK-c6bcc80b-8
0.653
EDJ-MED-378a25ea-3
0.650
MAT-POS-bf364d7a-10
0.650
MAT-POS-5cd9ea36-6
0.650
EDJ-MED-378a25ea-7
0.650
MAT-POS-22373164-1
0.650
MAT-POS-22373164-2
0.650
MAT-POS-bf364d7a-9
0.650
MAT-POS-81ae2990-8
0.649
MAT-POS-bf364d7a-11
0.644
MAT-POS-bf364d7a-12
0.644
MAT-POS-5cd9ea36-7
0.644
EDJ-MED-378a25ea-1
0.641
JOH-SUS-07b743f6-3
0.640
MAT-POS-22373164-3
0.639
MAT-POS-22373164-4
0.639
MAT-POS-bfd29aac-2
0.637
PET-UNK-19e211a9-2
0.637
EDJ-MED-378a25ea-23
0.636
EDJ-MED-4f4dd660-2
0.636
ALE-ALC-b4762a05-1
0.635
ALE-ALC-1b189c66-1
0.635
MAT-POS-13080fc6-1
0.632
MAT-POS-13080fc6-3
0.632
ALP-POS-6f6ae286-4
0.632
ALE-ALC-e1a61ec1-1
0.632
PET-UNK-19e211a9-4
0.632
ALP-POS-07e1ed01-1
0.629
MAT-POS-dc2604c4-3
0.629
MAT-POS-777f5926-3
0.629
MAT-POS-777f5926-4
0.629
EDJ-MED-4f4dd660-6
0.628
PET-UNK-615ad708-1
0.626
PET-UNK-19e211a9-3
0.626
PET-UNK-615ad708-4
0.626
MAT-POS-b4d6b7fc-8
0.626
MAT-POS-81ae2990-7
0.626
EDJ-MED-4f4dd660-4
0.625
ALP-POS-07e1ed01-2
0.624
EDJ-MED-378a25ea-29
0.623
PET-UNK-94036022-1
0.623
XIA-UNK-284f966f-1
0.623
PET-UNK-94036022-8
0.623
ALE-ALC-3d276b90-1
0.621
EDJ-MED-378a25ea-17
0.620
EDJ-MED-378a25ea-27
0.620
EDJ-MED-378a25ea-15
0.618
MAT-POS-81ae2990-3
0.617
EDJ-MED-378a25ea-33
0.615