Molecule Details
| Molecular Properties | |
| SMILES: | CC(C)(O)c1ccc2cncc(N3CCC4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1 |
| MW: | 564.16 |
| Fraction sp3: | 0.41 |
| HBA: | 6 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 114.6 |
| cLogP: | 4.24 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Hetero_hetero
MAT-POS-853c0ffa-20
0.822
EDJ-MED-b6c6ee2b-4
0.808
MAT-POS-853c0ffa-12
0.800
MAT-POS-853c0ffa-13
0.771
MIK-ENA-bb7b6957-1
0.759
EDJ-MED-5cd3920d-2
0.759
EDJ-MED-b6c6ee2b-3
0.759
MIK-ENA-60569a44-1
0.759
MAT-POS-38eb6498-2
0.748
EDJ-MED-8bb691af-6
0.734
ALP-POS-ecbed2ba-4
0.734
MIK-ENA-5d9157e9-1
0.734
MIK-ENA-5d9157e9-2
0.734
EDJ-MED-ee81482e-2
0.729
MAT-POS-1a788f51-1
0.726
EDJ-MED-5cd3920d-1
0.724
MAT-POS-1a788f51-2
0.714
EDJ-MED-ee81482e-1
0.712
EDJ-MED-4138fde9-1
0.708
MAT-POS-1a788f51-4
0.707
MIK-ENA-7066949b-1
0.702
MIK-ENA-8063e9dc-1
0.702
LUO-POS-8484f2d3-2
0.702
MAT-POS-38eb6498-1
0.702
MAT-POS-853c0ffa-9
0.702
LUO-POS-8484f2d3-1
0.702
MAT-POS-40ad851a-4
0.697
LUO-POS-d1147590-1
0.697
MAT-POS-40ad851a-3
0.691
ALP-POS-ecbed2ba-8
0.690
EDJ-MED-ee81482e-3
0.688
MAT-POS-40ad851a-2
0.685
MAT-POS-1a788f51-3
0.685
EDJ-MED-ee81482e-5
0.683
EDJ-MED-468565e0-1
0.683
EDJ-MED-468565e0-5
0.683
ALP-POS-ecbed2ba-15
0.678
EDJ-MED-ee81482e-4
0.677
MAT-POS-853c0ffa-15
0.675
PET-UNK-c6bcc80b-4
0.675
PET-UNK-c6bcc80b-11
0.675
MAT-POS-40ad851a-5
0.672
EDJ-MED-468565e0-4
0.667
EDJ-MED-4138fde9-2
0.664
ALP-POS-ecbed2ba-2
0.664
MAT-POS-40ad851a-1
0.659
EDJ-MED-4138fde9-7
0.658
EDJ-MED-468565e0-2
0.656
ALP-POS-ecbed2ba-11
0.655
MAT-POS-853c0ffa-6
0.652
EDJ-MED-468565e0-3
0.651
MAT-POS-853c0ffa-5
0.647
MAT-POS-1d5ab790-1
0.647
PET-UNK-df7eb4e6-3
0.641
PET-UNK-df7eb4e6-7
0.641
PET-UNK-94036022-2
0.635
PET-UNK-94036022-9
0.635
MAT-POS-853c0ffa-21
0.632
ALP-POS-133e7cd9-2
0.627
MAT-POS-853c0ffa-14
0.617
EDJ-MED-705e09b8-2
0.610
ALP-POS-ecbed2ba-13
0.605
ALP-POS-ecbed2ba-3
0.603
EDJ-MED-accc2c4d-3
0.603
ALP-POS-ecbed2ba-22
0.595
EDJ-MED-accc2c4d-1
0.593
PET-UNK-94036022-3
0.590
PET-UNK-94036022-10
0.590
EDJ-MED-3707c4bc-2
0.590
MAT-POS-853c0ffa-19
0.586
ALP-POS-ecbed2ba-6
0.583
EDJ-MED-5cd3920d-6
0.583
VLA-UNK-61877630-10
0.583
VLA-UNK-61877630-8
0.582
VLA-UNK-e334495f-2
0.582
ALP-POS-ecbed2ba-1
0.579
PET-UNK-143b31ee-1
0.577
PET-UNK-143b31ee-4
0.577
MAT-POS-853c0ffa-10
0.577
EDJ-MED-3707c4bc-1
0.576
EDJ-MED-5cd3920d-5
0.570
MAT-POS-853c0ffa-22
0.548
LUO-POS-868e8996-10
0.545
MAT-POS-1bed62cf-1
0.545
LUO-POS-868e8996-9
0.545
ALP-POS-ecbed2ba-5
0.545
EDJ-MED-4138fde9-8
0.541
EDJ-MED-4138fde9-9
0.540
PET-UNK-143b31ee-2
0.540
PET-UNK-143b31ee-5
0.540
EDJ-MED-accc2c4d-4
0.537
MAT-POS-853c0ffa-18
0.537
ALP-POS-c3a90b22-7
0.537
VLA-UNK-61877630-7
0.536
VLA-UNK-e334495f-1
0.536
EDJ-MED-7587a9ee-3
0.534
LUO-POS-ed2cfb03-2
0.534
ALP-POS-ecbed2ba-17
0.532
LUO-POS-e1dab717-15
0.532
MAT-POS-853c0ffa-16
0.531