Molecular Properties | |
SMILES: | CC(=O)NC1(c2ccc3c(NC(=O)C4CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)cncc3c2)CC1 |
MW: | 577.16 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 132.26 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-e194df51-1
EDJ-MED-378a25ea-28
0.800
EDJ-MED-be9e6f63-4
0.769
EDJ-MED-7889e8da-4
0.769
EDJ-MED-378a25ea-9
0.736
EDJ-MED-7889e8da-6
0.736
EDJ-MED-7889e8da-2
0.727
EDJ-MED-be9e6f63-2
0.727
MAT-POS-c7726e07-8
0.723
EDJ-MED-be9e6f63-1
0.723
EDJ-MED-be9e6f63-3
0.723
MAT-POS-c7726e07-7
0.723
EDJ-MED-378a25ea-25
0.723
EDJ-MED-378a25ea-1
0.717
EDJ-MED-378a25ea-21
0.717
EDJ-MED-378a25ea-11
0.714
EDJ-MED-4f4dd660-2
0.711
EDJ-MED-378a25ea-7
0.711
EDJ-MED-378a25ea-23
0.711
MAT-POS-22373164-1
0.711
MAT-POS-22373164-2
0.711
EDJ-MED-378a25ea-18
0.702
MAT-POS-e194df51-1
0.700
MAT-POS-e194df51-2
0.700
MAT-POS-dc2604c4-1
0.700
EDJ-MED-4f4dd660-4
0.698
MAT-POS-22373164-3
0.698
EDJ-MED-378a25ea-13
0.695
ALP-POS-6f6ae286-4
0.693
EDJ-MED-4f4dd660-6
0.686
EDJ-MED-378a25ea-33
0.686
EDJ-MED-378a25ea-4
0.684
MAT-POS-22373164-4
0.684
PET-UNK-19e211a9-5
0.681
EDJ-MED-378a25ea-29
0.681
EDJ-MED-378a25ea-17
0.678
EDJ-MED-378a25ea-15
0.675
PET-UNK-19e211a9-6
0.667
MAT-POS-4223bc15-12
0.667
EDJ-MED-378a25ea-3
0.667
EDJ-MED-378a25ea-31
0.667
MAT-POS-b4d6b7fc-9
0.658
MAT-POS-81ae2990-9
0.658
PET-UNK-c6bcc80b-8
0.655
PET-UNK-c6bcc80b-1
0.655
MAT-POS-5cd9ea36-5
0.655
EDJ-MED-378a25ea-10
0.655
PET-UNK-19e211a9-8
0.653
MAT-POS-5cd9ea36-6
0.653
MAT-POS-bf364d7a-10
0.653
MAT-POS-bf364d7a-9
0.653
EDJ-MED-378a25ea-12
0.647
PET-UNK-19e211a9-9
0.644
MAT-POS-2e8b2191-9
0.644
EDJ-MED-378a25ea-26
0.644
MAT-POS-e36d57d9-1
0.644
MAT-POS-97ec4bd1-2
0.644
MAT-POS-78ab8081-6
0.644
PET-UNK-19e211a9-10
0.644
JOH-SUS-07b743f6-3
0.643
PET-UNK-19e211a9-7
0.639
MAT-POS-5cd9ea36-7
0.633
MAT-POS-78ab8081-4
0.633
MAT-POS-bf364d7a-11
0.633
EDJ-MED-378a25ea-2
0.633
EDJ-MED-378a25ea-22
0.633
EDJ-MED-378a25ea-24
0.633
MAT-POS-bf364d7a-12
0.633
EDJ-MED-378a25ea-8
0.628
ALP-POS-07e1ed01-2
0.627
ALE-ALC-b4762a05-1
0.624
ALE-ALC-1b189c66-1
0.624
ALE-ALC-3d276b90-1
0.624
EDJ-MED-378a25ea-14
0.621
PET-UNK-19e211a9-4
0.621
EDJ-MED-378a25ea-6
0.620
MAT-POS-777f5926-4
0.619
ALP-POS-07e1ed01-1
0.619
MAT-POS-dc2604c4-3
0.619
MAT-POS-777f5926-3
0.619
MAT-POS-bfd29aac-1
0.615
PET-UNK-19e211a9-1
0.615
PET-UNK-615ad708-4
0.615
PET-UNK-19e211a9-3
0.615
PET-UNK-615ad708-1
0.615
EDJ-MED-378a25ea-20
0.615
EDJ-MED-378a25ea-34
0.613
EDJ-MED-378a25ea-30
0.613
PET-UNK-ff046148-2
0.612
PET-UNK-19e211a9-2
0.612
MAT-POS-bfd29aac-2
0.612
JOH-SUS-07b743f6-6
0.612
PET-UNK-94036022-1
0.612
PET-UNK-94036022-8
0.612
XIA-UNK-284f966f-1
0.612
ALE-ALC-159be365-1
0.612
MAT-POS-81ae2990-8
0.610
ALE-ALC-e1a61ec1-1
0.608
EDJ-MED-378a25ea-16
0.608
MAT-POS-78ab8081-2
0.603
MAT-POS-b4d6b7fc-8
0.602