Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4cn[nH]c34)C2)CC1 |
MW: | 470.09 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 131.84 |
cLogP: | 2.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-07-11 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
MAT-POS-bfd29aac-2
1.000
EDJ-MED-be9e6f63-4
0.696
EDJ-MED-7889e8da-4
0.696
MAT-POS-e194df51-1
0.676
MAT-POS-e194df51-2
0.676
MAT-POS-dc2604c4-1
0.676
MAT-POS-bfd29aac-1
0.664
PET-UNK-19e211a9-1
0.664
MAT-POS-b4d6b7fc-8
0.664
MAT-POS-81ae2990-7
0.664
MAT-POS-b4d6b7fc-9
0.664
MAT-POS-81ae2990-9
0.664
EDJ-MED-7889e8da-2
0.657
EDJ-MED-be9e6f63-2
0.657
MAT-POS-4223bc15-12
0.657
MAT-POS-81ae2990-8
0.657
MAT-POS-13080fc6-3
0.655
EDJ-MED-378a25ea-9
0.651
EDJ-MED-7889e8da-6
0.651
EDJ-MED-378a25ea-12
0.651
EDJ-MED-378a25ea-21
0.649
EDJ-MED-378a25ea-10
0.645
EDJ-MED-378a25ea-11
0.645
MAT-POS-c7726e07-8
0.640
ALP-POS-6f6ae286-4
0.640
EDJ-MED-be9e6f63-1
0.640
EDJ-MED-be9e6f63-3
0.640
MAT-POS-13080fc6-1
0.640
MAT-POS-c7726e07-7
0.640
EDJ-MED-378a25ea-25
0.640
PET-UNK-19e211a9-4
0.639
EDJ-MED-378a25ea-6
0.637
PET-UNK-19e211a9-9
0.634
MAT-POS-2e8b2191-9
0.634
EDJ-MED-378a25ea-26
0.634
MAT-POS-e36d57d9-1
0.634
EDJ-MED-378a25ea-1
0.634
EDJ-MED-378a25ea-18
0.634
MAT-POS-97ec4bd1-2
0.634
MAT-POS-78ab8081-6
0.634
PET-UNK-19e211a9-10
0.634
EDJ-MED-378a25ea-4
0.632
MAT-POS-5cd9ea36-5
0.631
PET-UNK-19e211a9-6
0.628
PET-UNK-19e211a9-7
0.628
PET-UNK-19e211a9-8
0.628
EDJ-MED-4f4dd660-2
0.628
EDJ-MED-378a25ea-7
0.628
EDJ-MED-378a25ea-23
0.628
MAT-POS-22373164-1
0.628
MAT-POS-22373164-2
0.628
PET-UNK-19e211a9-5
0.628
MAT-POS-78ab8081-4
0.623
EDJ-MED-378a25ea-2
0.623
EDJ-MED-378a25ea-22
0.623
EDJ-MED-378a25ea-24
0.623
MAT-POS-777f5926-4
0.622
ALP-POS-07e1ed01-1
0.622
MAT-POS-dc2604c4-3
0.622
MAT-POS-777f5926-3
0.622
PET-UNK-615ad708-4
0.618
PET-UNK-19e211a9-3
0.618
PET-UNK-615ad708-1
0.618
EDJ-MED-4f4dd660-4
0.617
EDJ-MED-378a25ea-8
0.617
PET-UNK-c6bcc80b-8
0.617
PET-UNK-c6bcc80b-1
0.617
EDJ-MED-378a25ea-20
0.617
MAT-POS-22373164-3
0.617
MAT-POS-22373164-4
0.617
EDJ-MED-378a25ea-3
0.615
EDJ-MED-378a25ea-5
0.615
MAT-POS-5cd9ea36-6
0.614
MAT-POS-bf364d7a-10
0.614
MAT-POS-bf364d7a-9
0.614
ALE-ALC-b4762a05-1
0.613
ALE-ALC-1b189c66-1
0.613
ALE-ALC-3d276b90-1
0.613
EDJ-MED-378a25ea-28
0.612
EDJ-MED-378a25ea-17
0.612
EDJ-MED-378a25ea-27
0.612
ALE-ALC-e1a61ec1-1
0.611
EDJ-MED-343bb62d-4
0.609
MAT-POS-5cd9ea36-7
0.609
MAT-POS-bf364d7a-11
0.609
MAT-POS-bf364d7a-12
0.609
EDJ-MED-4f4dd660-6
0.607
EDJ-MED-378a25ea-33
0.607
JOH-SUS-07b743f6-3
0.604
JOH-UNI-2440d4f3-2
0.604
EDJ-MED-378a25ea-34
0.602
EDJ-MED-378a25ea-29
0.602
EDJ-MED-378a25ea-30
0.602
EDJ-MED-378a25ea-31
0.602
EDJ-MED-378a25ea-13
0.602
EDJ-MED-378a25ea-19
0.602
JOH-UNI-3267ef54-2
0.600
EDJ-MED-378a25ea-15
0.597
EDJ-MED-378a25ea-16
0.597
EDJ-MED-378a25ea-14
0.597