Molecular Properties | |
SMILES: | COC(=O)c1cccc2c(NC(=O)[C@@H]3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)cncc12 |
MW: | 538.11 |
Fraction sp3: | 0.31 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 129.46 |
cLogP: | 3.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
Hetero_hetero
ALE-ALC-b4762a05-1
ALE-ALC-40a91b97-1
ALE-ALC-b4762a05-1
0.833
ALE-ALC-1b189c66-1
0.833
ALE-ALC-6d799671-1
0.748
ALE-ALC-40a91b97-1
0.748
ALE-ALC-3d276b90-1
0.748
ALE-ALC-e1a61ec1-1
0.727
MAT-POS-dc2604c4-1
0.673
MAT-POS-e194df51-1
0.673
MAT-POS-e194df51-2
0.673
EDJ-MED-7889e8da-4
0.661
EDJ-MED-be9e6f63-4
0.661
PET-UNK-19e211a9-5
0.655
EDJ-MED-be9e6f63-1
0.652
PET-UNK-19e211a9-9
0.647
EDJ-MED-378a25ea-26
0.647
MAT-POS-2e8b2191-9
0.647
MAT-POS-e36d57d9-1
0.647
PET-UNK-19e211a9-7
0.641
MAT-POS-4223bc15-12
0.640
MAT-POS-c7726e07-8
0.638
EDJ-MED-378a25ea-25
0.638
EDJ-MED-be9e6f63-3
0.638
MAT-POS-c7726e07-7
0.638
PET-UNK-19e211a9-4
0.637
EDJ-MED-7889e8da-6
0.635
EDJ-MED-378a25ea-9
0.635
MAT-POS-b4d6b7fc-9
0.632
PET-UNK-19e211a9-3
0.632
PET-UNK-615ad708-1
0.632
MAT-POS-81ae2990-9
0.632
PET-UNK-615ad708-4
0.632
PET-UNK-c6bcc80b-1
0.630
PET-UNK-c6bcc80b-8
0.630
EDJ-MED-378a25ea-10
0.629
MAT-POS-5cd9ea36-5
0.629
JOH-UNI-3267ef54-2
0.628
JOH-UNI-7e3f498e-3
0.628
JOH-UNI-2440d4f3-4
0.628
EDJ-MED-be9e6f63-2
0.626
EDJ-MED-7889e8da-2
0.626
MAT-POS-78ab8081-4
0.622
EDJ-MED-378a25ea-2
0.622
EDJ-MED-378a25ea-12
0.621
EDJ-MED-378a25ea-33
0.620
PET-UNK-19e211a9-10
0.619
EDJ-MED-378a25ea-1
0.619
EDJ-MED-378a25ea-21
0.619
MAT-POS-97ec4bd1-2
0.619
MAT-POS-78ab8081-6
0.619
JOH-UNI-2440d4f3-2
0.617
EDJ-MED-4f4dd660-4
0.617
EDJ-MED-378a25ea-11
0.615
PET-UNK-19e211a9-6
0.613
PET-UNK-19e211a9-8
0.613
EDJ-MED-378a25ea-23
0.613
EDJ-MED-4f4dd660-2
0.613
MAT-POS-bf364d7a-9
0.613
MAT-POS-bf364d7a-10
0.613
EDJ-MED-378a25ea-7
0.613
MAT-POS-22373164-1
0.613
MAT-POS-22373164-2
0.613
MAT-POS-5cd9ea36-6
0.613
EDJ-MED-378a25ea-27
0.612
MAT-POS-bf364d7a-11
0.608
EDJ-MED-378a25ea-22
0.608
EDJ-MED-378a25ea-24
0.608
MAT-POS-5cd9ea36-7
0.608
MAT-POS-bf364d7a-12
0.608
EDJ-MED-4f4dd660-6
0.607
EDJ-MED-378a25ea-18
0.605
JOH-SUS-07b743f6-3
0.603
MAT-POS-81ae2990-7
0.603
MAT-POS-b4d6b7fc-8
0.603
EDJ-MED-378a25ea-4
0.603
MAT-POS-22373164-3
0.603
EDJ-MED-378a25ea-8
0.603
ALP-POS-07e1ed01-2
0.602
EDJ-MED-378a25ea-34
0.602
EDJ-MED-378a25ea-13
0.602
EDJ-MED-378a25ea-28
0.598
MAT-POS-81ae2990-8
0.598
EDJ-MED-378a25ea-14
0.597
ALP-POS-6f6ae286-4
0.597
EDJ-MED-378a25ea-6
0.595
MAT-POS-dc2604c4-3
0.593
ALP-POS-07e1ed01-1
0.593
MAT-POS-777f5926-3
0.593
MAT-POS-777f5926-4
0.593
MAT-POS-78ab8081-2
0.592
MAT-POS-22373164-4
0.590
EDJ-MED-378a25ea-20
0.590
MAT-POS-bfd29aac-1
0.590
PET-UNK-19e211a9-1
0.590
EDJ-MED-378a25ea-29
0.589
EDJ-MED-378a25ea-30
0.589
EDJ-MED-378a25ea-3
0.589
PET-UNK-19e211a9-2
0.586
XIA-UNK-284f966f-1
0.586
MAT-POS-bfd29aac-2
0.586
PET-UNK-94036022-1
0.586