Molecular Properties | |
SMILES: | CS(=O)(=O)NCCN1CC(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)c2cc(Cl)ccc2C1=O |
MW: | 550.07 |
Fraction sp3: | 0.26 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 142.61 |
cLogP: | 2.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-10-18 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-41558c53-7
0.851
EDJ-MED-41558c53-10
0.832
PET-UNK-c671f938-7
0.758
PET-UNK-c671f938-3
0.758
EDJ-MED-41558c53-12
0.743
EDJ-MED-41558c53-14
0.738
EDJ-MED-0186a59b-7
0.728
MAT-POS-2e8b2191-12
0.728
EDJ-MED-d165ed91-4
0.714
EDJ-MED-c99b2211-4
0.714
EDJ-MED-e69ed63d-12
0.714
EDJ-MED-e69ed63d-4
0.710
EDJ-MED-e69ed63d-8
0.708
EDJ-MED-e69ed63d-14
0.704
EDJ-MED-e69ed63d-16
0.704
EDJ-MED-41558c53-6
0.704
EDJ-MED-e69ed63d-2
0.701
EDJ-MED-e69ed63d-10
0.697
PET-UNK-3324058f-3
0.688
PET-UNK-3324058f-7
0.688
EDJ-MED-c99b2211-3
0.688
EDJ-MED-d165ed91-3
0.682
EDJ-MED-e69ed63d-5
0.682
EDJ-MED-e69ed63d-18
0.676
EDJ-MED-d165ed91-5
0.657
EDJ-MED-41558c53-9
0.657
EDJ-MED-d165ed91-1
0.645
EDJ-MED-41558c53-2
0.645
EDJ-MED-d165ed91-6
0.642
EDJ-MED-41558c53-4
0.622
EDJ-MED-d165ed91-2
0.622
EDJ-MED-968bafd9-2
0.614
PET-UNK-c671f938-8
0.604
PET-UNK-c671f938-4
0.604
PET-UNK-c671f938-6
0.602
PET-UNK-c671f938-2
0.602
EDJ-MED-41558c53-11
0.600
ALP-POS-b3e0acc5-1
0.596
EDJ-MED-0186a59b-6
0.589
EDJ-MED-41558c53-13
0.589
LUO-POS-74179f4f-1
0.589
LUO-POS-edefcc0e-1
0.589
MAT-POS-b4d6b7fc-2
0.583
EDJ-MED-41558c53-5
0.571
EDG-MED-e300b289-1
0.568
EDG-MED-e300b289-3
0.566
PET-UNK-3324058f-4
0.562
PET-UNK-3324058f-8
0.562
MIC-UNK-482af05e-3
0.560
EDJ-MED-eb111c00-4
0.560
EDJ-MED-eb111c00-2
0.559
PET-UNK-3324058f-6
0.558
EDG-MED-e300b289-2
0.558
EDJ-MED-ce467fd5-1
0.558
EDJ-MED-827e7cb4-3
0.558
PET-UNK-3324058f-2
0.558
PET-UNK-c671f938-1
0.555
PET-UNK-c671f938-5
0.555
MAT-POS-b4d6b7fc-4
0.551
EDJ-MED-0186a59b-5
0.549
MAT-POS-c7726e07-1
0.549
MAT-POS-e119ab4f-1
0.549
MAT-POS-c7726e07-2
0.549
EDJ-MED-e69ed63d-11
0.548
EDJ-MED-eb111c00-3
0.546
EDJ-MED-93390d0c-2
0.541
JOH-UNI-d2a12aa9-2
0.538
PET-UNK-c6bcc80b-3
0.538
PET-UNK-c6bcc80b-10
0.538
ERI-UCB-8d4e5055-3
0.537
MAT-POS-7ddaf7de-2
0.537
MIC-UNK-482af05e-4
0.536
EDJ-MED-e69ed63d-7
0.534
EDJ-MED-e69ed63d-13
0.534
EDJ-MED-e69ed63d-15
0.534
EDJ-MED-e69ed63d-3
0.530
EDJ-MED-e69ed63d-1
0.530
EDG-MED-ee636701-1
0.526
EDJ-MED-f9b78f78-1
0.523
PET-UNK-f860268d-2
0.523
PET-UNK-f860268d-5
0.523
EDJ-MED-7889e8da-5
0.521
EDJ-MED-0186a59b-3
0.521
EDJ-MED-e69ed63d-9
0.521
PET-UNK-4d432d33-2
0.518
PET-UNK-4d432d33-6
0.518
MAT-POS-a54ce14d-2
0.518
EDJ-MED-015fb6b4-2
0.518
MAT-POS-acfe5bae-2
0.518
MAT-POS-a54ce14d-3
0.518
PET-UNK-3324058f-1
0.517
PET-UNK-3324058f-5
0.517
JOH-UNI-d2a12aa9-4
0.516
EDJ-MED-41558c53-1
0.514
PET-UNK-4d432d33-5
0.514
PET-UNK-4d432d33-1
0.514
RAL-THA-a9c31980-4
0.513
EDJ-MED-c99b2211-2
0.513
PET-UNK-e9bc7c59-5
0.513
EDJ-MED-ede277f6-6
0.512