Molecular Properties | |
SMILES: | CNC(=O)C(C)(C)N1CC(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)c2cc(Cl)ccc2C1=O |
MW: | 528.12 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 125.54 |
cLogP: | 2.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-10-18 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
EDJ-MED-d165ed91-1
1.000
EDJ-MED-41558c53-1
0.802
EDG-MED-9fc99cca-3
0.742
EDJ-MED-43f8f7d6-1
0.711
LUO-POS-3f66b338-1
0.711
EDJ-MED-12c4873b-4
0.711
EDJ-MED-41558c53-12
0.703
PET-UNK-c671f938-7
0.700
PET-UNK-c671f938-3
0.700
EDJ-MED-0186a59b-7
0.689
MAT-POS-2e8b2191-12
0.689
EDJ-MED-41558c53-10
0.683
EDJ-MED-d165ed91-2
0.676
EDJ-MED-41558c53-4
0.676
EDJ-MED-e69ed63d-12
0.676
EDJ-MED-c99b2211-4
0.676
EDJ-MED-d165ed91-4
0.676
EDJ-MED-c4e42105-3
0.660
EDJ-MED-d165ed91-6
0.651
EDJ-MED-d165ed91-5
0.651
EDJ-MED-41558c53-14
0.651
EDJ-MED-41558c53-8
0.645
EDJ-MED-e69ed63d-8
0.639
EDJ-MED-e69ed63d-2
0.633
EDJ-MED-e69ed63d-4
0.627
EDJ-MED-e69ed63d-18
0.625
EDJ-MED-e69ed63d-14
0.622
EDJ-MED-e69ed63d-16
0.622
EDJ-MED-968bafd9-2
0.622
PET-UNK-3324058f-3
0.622
PET-UNK-3324058f-7
0.622
EDJ-MED-c99b2211-3
0.622
EDJ-MED-41558c53-6
0.622
EDJ-MED-d165ed91-3
0.616
EDJ-MED-e69ed63d-10
0.616
EDJ-MED-e69ed63d-5
0.616
EDG-MED-ee636701-1
0.559
EDJ-MED-7889e8da-5
0.554
EDJ-MED-0186a59b-3
0.554
EDJ-MED-827e7cb4-2
0.550
EDJ-MED-41558c53-11
0.547
PET-UNK-c671f938-4
0.540
PET-UNK-c671f938-8
0.540
EDJ-MED-0186a59b-6
0.537
LUO-POS-edefcc0e-1
0.537
LUO-POS-74179f4f-1
0.537
MAT-POS-b4d6b7fc-2
0.534
PET-UNK-c671f938-2
0.533
PET-UNK-c671f938-6
0.533
EDJ-MED-41558c53-7
0.532
MAT-POS-5c19d660-1
0.530
MAT-POS-7ddaf7de-2
0.528
EDJ-MED-f9b78f78-1
0.528
ERI-UCB-8d4e5055-3
0.528
EDJ-MED-41558c53-3
0.527
EDJ-MED-41558c53-9
0.524
MAT-POS-acfe5bae-3
0.523
EDJ-MED-827e7cb4-3
0.522
EDJ-MED-ce467fd5-1
0.522
EDJ-MED-378a25ea-9
0.521
EDJ-MED-7889e8da-6
0.521
EDJ-MED-93390d0c-2
0.519
MAT-POS-b4d6b7fc-4
0.517
MAT-POS-e119ab4f-1
0.513
EDJ-MED-0186a59b-5
0.513
MAT-POS-c7726e07-2
0.513
MAT-POS-c7726e07-1
0.513
EDG-MED-9fc99cca-4
0.513
EDJ-MED-e69ed63d-11
0.513
EDJ-MED-ede277f6-12
0.513
EDJ-MED-ede277f6-2
0.513
EDJ-MED-0047eae5-1
0.509
EDG-MED-e300b289-2
0.509
BEN-DND-f6031113-19
0.509
PET-UNK-c671f938-1
0.505
PET-UNK-c671f938-5
0.505
BEN-DND-f6031113-6
0.504
BEN-DND-f6031113-13
0.504
EDJ-MED-ede277f6-6
0.504
EDJ-MED-ede277f6-8
0.504
EDJ-MED-41558c53-13
0.495
EDJ-MED-eb111c00-4
0.495
PET-UNK-3324058f-8
0.492
PET-UNK-3324058f-4
0.492
EDG-MED-e300b289-3
0.491
PET-UNK-e9bc7c59-5
0.491
EDJ-MED-eb111c00-1
0.491
MIC-UNK-91acba05-2
0.491
BEN-DND-f6031113-5
0.488
MAT-POS-e2d70d27-1
0.487
BEN-DND-fa51d92c-13
0.483
PET-UNK-e9bc7c59-6
0.483
PET-UNK-3324058f-2
0.483
EDJ-MED-41558c53-5
0.483
PET-UNK-3324058f-6
0.483
MAT-POS-acfe5bae-2
0.482
MAT-POS-a54ce14d-2
0.482
MAT-POS-a54ce14d-3
0.482
EDJ-MED-015fb6b4-2
0.482
JOH-UNI-d2a12aa9-2
0.479