Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2cncc(NC(=O)C3CN(S(=O)(=O)CC4(C#N)CCC4)C(=O)c4ccc(Cl)cc43)c2c1 |
MW: | 586.07 |
Fraction sp3: | 0.31 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 154.37 |
cLogP: | 3.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-05-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
TET-ENA-df1c4375-1
0.750
MAT-POS-acfe5bae-4
0.750
EDJ-MED-827e7cb4-2
0.714
ALP-POS-c56c1477-3
0.706
EDJ-MED-378a25ea-10
0.624
EDJ-MED-ce467fd5-1
0.619
EDJ-MED-827e7cb4-3
0.619
EDJ-MED-968bafd9-2
0.592
PET-UNK-8f269638-1
0.578
PET-UNK-8f269638-2
0.578
EDJ-MED-968bafd9-1
0.571
EDJ-MED-378a25ea-12
0.549
FRA-DIA-6238d354-2
0.535
EDJ-MED-827e7cb4-1
0.535
PET-UNK-9b053684-1
0.528
PET-UNK-9b053684-4
0.528
EDJ-MED-0047eae5-1
0.526
MAT-POS-acfe5bae-3
0.526
PET-UNK-c671f938-3
0.508
PET-UNK-c671f938-7
0.508
EDJ-MED-0047eae5-2
0.496
EDJ-MED-378a25ea-24
0.492
EDJ-MED-c4e42105-4
0.492
EDJ-MED-378a25ea-26
0.488
MAT-POS-e36d57d9-1
0.488
MAT-POS-2e8b2191-9
0.488
EDJ-MED-d165ed91-2
0.484
MAT-POS-b4d6b7fc-9
0.484
MAT-POS-81ae2990-9
0.484
EDJ-MED-41558c53-4
0.484
TET-ENA-9b1de71a-1
0.483
MAT-POS-edabd372-1
0.483
ERI-UCB-8d4e5055-4
0.483
BEN-DND-c852c98b-5
0.483
EDJ-MED-378a25ea-2
0.481
EDJ-MED-378a25ea-22
0.481
MAT-POS-78ab8081-4
0.481
EDJ-MED-378a25ea-6
0.481
MAT-POS-4223bc15-12
0.480
MAT-POS-2e8b2191-11
0.480
MAT-POS-2e8b2191-12
0.480
EDJ-MED-ce467fd5-2
0.480
EDJ-MED-0186a59b-7
0.480
PET-UNK-e9bc7c59-4
0.480
EDJ-MED-378a25ea-34
0.478
PET-UNK-19e211a9-9
0.477
PET-UNK-19e211a9-10
0.477
EDJ-MED-e69ed63d-10
0.477
MAT-POS-97ec4bd1-2
0.477
MAT-POS-78ab8081-6
0.477
EDJ-MED-7889e8da-6
0.477
EDJ-MED-378a25ea-9
0.477
EDJ-MED-41558c53-14
0.476
EDJ-MED-d165ed91-6
0.476
MAT-POS-e119ab4f-2
0.475
MAT-POS-c7726e07-3
0.475
MAT-POS-c7726e07-4
0.475
EDJ-MED-eb111c00-4
0.475
MAT-POS-37ffad05-1
0.473
EDJ-MED-c4e42105-3
0.472
EDJ-MED-41558c53-10
0.472
BEN-DND-a02b439d-11
0.471
PET-UNK-fe31e24a-6
0.471
EDJ-MED-93390d0c-1
0.471
EDJ-MED-c99b2211-3
0.469
EDJ-MED-e69ed63d-16
0.469
MAT-POS-64942dd0-1
0.467
PET-UNK-fe31e24a-5
0.467
ALP-POS-e6e0c683-4
0.467
PET-UNK-1e13ef09-2
0.467
EDJ-MED-378a25ea-8
0.466
EDJ-MED-e69ed63d-2
0.465
MAT-POS-2e8b2191-6
0.465
EDJ-MED-41558c53-2
0.464
EDJ-MED-41558c53-12
0.464
EDJ-MED-d165ed91-1
0.464
EDJ-MED-378a25ea-16
0.463
EDJ-MED-378a25ea-28
0.463
PET-UNK-4d432d33-6
0.462
PET-UNK-4d432d33-2
0.462
MAT-POS-5cd9ea36-5
0.462
EDJ-MED-e69ed63d-4
0.462
EDJ-MED-c99b2211-4
0.461
EDJ-MED-d165ed91-4
0.461
EDJ-MED-e69ed63d-12
0.461
MAT-POS-97ec4bd1-4
0.460
EDJ-MED-c4e42105-2
0.458
EDJ-MED-e69ed63d-8
0.457
PET-UNK-c671f938-4
0.457
EDJ-MED-ce467fd5-4
0.457
PET-UNK-c671f938-8
0.457
EDJ-MED-378a25ea-5
0.456
EDJ-MED-378a25ea-20
0.455
MAT-POS-81ae2990-3
0.453
EDJ-MED-378a25ea-14
0.453
PET-UNK-c6bcc80b-3
0.450
PET-UNK-c6bcc80b-10
0.450
JOH-UNI-d2a12aa9-2
0.450
EDJ-MED-41558c53-8
0.450
MAT-POS-78ab8081-2
0.449