Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4occc34)C2)CC1 |
MW: | 470.08 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 116.3 |
cLogP: | 3.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-b38839dc-6
0.719
EDJ-MED-be9e6f63-4
0.706
EDJ-MED-7889e8da-4
0.706
PET-UNK-b38839dc-9
0.690
MAT-POS-dc2604c4-1
0.686
MAT-POS-e194df51-1
0.686
MAT-POS-e194df51-2
0.686
EDJ-MED-378a25ea-10
0.685
ALE-ALC-3d276b90-1
0.682
PET-UNK-615ad708-4
0.673
MAT-POS-b4d6b7fc-9
0.673
PET-UNK-615ad708-1
0.673
MAT-POS-81ae2990-9
0.673
PET-UNK-19e211a9-3
0.673
EDJ-MED-be9e6f63-2
0.667
EDJ-MED-7889e8da-2
0.667
ALE-ALC-b4762a05-1
0.667
ALE-ALC-1b189c66-1
0.667
EDJ-MED-be9e6f63-1
0.664
MAT-POS-5cd9ea36-7
0.661
MAT-POS-bf364d7a-11
0.661
MAT-POS-bf364d7a-12
0.661
EDJ-MED-378a25ea-9
0.661
EDJ-MED-378a25ea-12
0.661
EDJ-MED-7889e8da-6
0.661
PET-UNK-19e211a9-9
0.658
EDJ-MED-378a25ea-1
0.658
EDJ-MED-378a25ea-11
0.655
PET-UNK-19e211a9-6
0.652
MAT-POS-4223bc15-12
0.651
EDJ-MED-be9e6f63-3
0.649
EDJ-MED-378a25ea-25
0.649
MAT-POS-c7726e07-7
0.649
MAT-POS-c7726e07-8
0.649
ALE-ALC-e1a61ec1-1
0.649
EDJ-MED-378a25ea-2
0.646
MAT-POS-78ab8081-4
0.646
PET-UNK-19e211a9-10
0.643
EDJ-MED-378a25ea-26
0.643
MAT-POS-e36d57d9-1
0.643
EDJ-MED-378a25ea-18
0.643
EDJ-MED-378a25ea-21
0.643
MAT-POS-78ab8081-6
0.643
MAT-POS-97ec4bd1-2
0.643
MAT-POS-2e8b2191-9
0.643
PET-UNK-c6bcc80b-1
0.640
PET-UNK-c6bcc80b-8
0.640
MAT-POS-5cd9ea36-5
0.640
PET-UNK-19e211a9-2
0.639
MAT-POS-bfd29aac-2
0.639
EDJ-MED-378a25ea-13
0.638
PET-UNK-19e211a9-5
0.637
PET-UNK-19e211a9-7
0.637
PET-UNK-19e211a9-8
0.637
MAT-POS-5cd9ea36-6
0.637
EDJ-MED-378a25ea-7
0.637
MAT-POS-bf364d7a-9
0.637
MAT-POS-bf364d7a-10
0.637
MAT-POS-22373164-1
0.637
MAT-POS-22373164-2
0.637
EDJ-MED-378a25ea-23
0.637
EDJ-MED-4f4dd660-2
0.637
ALE-ALC-159be365-1
0.637
ALP-POS-6f6ae286-4
0.634
EDJ-MED-378a25ea-15
0.632
EDJ-MED-378a25ea-16
0.632
EDJ-MED-378a25ea-6
0.632
EDJ-MED-378a25ea-24
0.632
EDJ-MED-378a25ea-22
0.632
JOH-UNI-2440d4f3-2
0.627
PET-UNK-19e211a9-1
0.627
MAT-POS-bfd29aac-1
0.627
MAT-POS-b4d6b7fc-8
0.627
MAT-POS-81ae2990-7
0.627
JOH-SUS-07b743f6-3
0.627
EDJ-MED-4f4dd660-4
0.626
EDJ-MED-378a25ea-4
0.626
EDJ-MED-378a25ea-8
0.626
EDJ-MED-378a25ea-20
0.626
MAT-POS-22373164-3
0.626
MAT-POS-22373164-4
0.626
ALE-ALC-6d799671-1
0.626
ALE-ALC-40a91b97-1
0.626
EDJ-MED-378a25ea-31
0.624
JOH-UNI-2440d4f3-4
0.624
JOH-UNI-7e3f498e-3
0.624
JOH-UNI-3267ef54-2
0.624
EDJ-MED-378a25ea-17
0.621
EDJ-MED-378a25ea-28
0.621
EDJ-MED-378a25ea-27
0.621
EDJ-MED-378a25ea-14
0.619
EDJ-MED-4f4dd660-6
0.615
EDJ-MED-378a25ea-33
0.615
ALP-POS-07e1ed01-2
0.611
EDJ-MED-378a25ea-3
0.610
EDJ-MED-378a25ea-29
0.610
EDJ-MED-378a25ea-34
0.610
EDJ-MED-378a25ea-19
0.610
EDJ-MED-378a25ea-5
0.610
EDJ-MED-378a25ea-30
0.610