Molecule Details
| Molecular Properties | |
| SMILES: | COCCOc1ccc2cncc(N3CCC4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1 |
| MW: | 580.15 |
| Fraction sp3: | 0.41 |
| HBA: | 7 |
| HBD: | 0 |
| Rotatable Bonds: | 8 |
| TPSA: | 112.83 |
| cLogP: | 4.04 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-22 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Aliphatic long chain
Hetero_hetero
MAT-POS-1a788f51-1
0.857
EDJ-MED-4138fde9-1
0.851
LUO-POS-8484f2d3-1
0.843
MAT-POS-853c0ffa-9
0.843
MAT-POS-38eb6498-1
0.843
MIK-ENA-8063e9dc-1
0.843
LUO-POS-8484f2d3-2
0.843
MIK-ENA-7066949b-1
0.843
MAT-POS-40ad851a-4
0.836
MAT-POS-40ad851a-3
0.829
MIK-ENA-bb7b6957-1
0.829
EDJ-MED-b6c6ee2b-3
0.829
MIK-ENA-60569a44-1
0.829
MAT-POS-1a788f51-3
0.822
MAT-POS-40ad851a-2
0.822
EDJ-MED-468565e0-1
0.821
EDJ-MED-468565e0-5
0.821
MAT-POS-1a788f51-4
0.815
MAT-POS-40ad851a-5
0.807
EDJ-MED-468565e0-2
0.802
EDJ-MED-468565e0-4
0.800
EDJ-MED-5cd3920d-1
0.791
EDJ-MED-468565e0-3
0.780
EDJ-MED-4138fde9-2
0.780
EDJ-MED-ee81482e-3
0.779
MAT-POS-40ad851a-1
0.774
EDJ-MED-ee81482e-2
0.765
EDJ-MED-b6c6ee2b-4
0.764
EDJ-MED-ee81482e-1
0.763
LUO-POS-d1147590-1
0.746
EDJ-MED-5cd3920d-2
0.735
MAT-POS-853c0ffa-13
0.730
EDJ-MED-ee81482e-4
0.726
MAT-POS-38eb6498-2
0.725
MAT-POS-853c0ffa-10
0.715
MAT-POS-853c0ffa-11
0.714
MAT-POS-853c0ffa-19
0.713
ALP-POS-ecbed2ba-4
0.696
MIK-ENA-5d9157e9-1
0.696
EDJ-MED-8bb691af-6
0.696
MIK-ENA-5d9157e9-2
0.696
PET-UNK-c6bcc80b-4
0.669
PET-UNK-c6bcc80b-11
0.669
ALP-POS-ecbed2ba-8
0.655
EDJ-MED-ee81482e-5
0.651
ALP-POS-ecbed2ba-15
0.645
MAT-POS-853c0ffa-15
0.642
MAT-POS-853c0ffa-6
0.633
MAT-POS-1d5ab790-1
0.628
MAT-POS-853c0ffa-5
0.628
EDJ-MED-4138fde9-7
0.626
ALP-POS-ecbed2ba-11
0.624
ALP-POS-ecbed2ba-2
0.619
MAT-POS-853c0ffa-14
0.613
PET-UNK-df7eb4e6-3
0.610
PET-UNK-df7eb4e6-7
0.610
PET-UNK-94036022-9
0.603
PET-UNK-94036022-2
0.603
MAT-POS-853c0ffa-21
0.602
ALP-POS-133e7cd9-2
0.597
MAT-POS-853c0ffa-12
0.594
EDJ-MED-4138fde9-3
0.585
MAT-POS-853c0ffa-20
0.583
ALP-POS-ecbed2ba-6
0.581
ALP-POS-ecbed2ba-22
0.579
ALP-POS-ecbed2ba-3
0.574
LUO-POS-e1dab717-7
0.571
EDJ-MED-705e09b8-2
0.568
VLA-UNK-61877630-8
0.567
VLA-UNK-e334495f-2
0.567
EDJ-MED-accc2c4d-1
0.565
ALP-POS-ecbed2ba-13
0.563
PET-UNK-143b31ee-1
0.562
PET-UNK-143b31ee-4
0.562
PET-UNK-94036022-3
0.561
PET-UNK-94036022-10
0.561
EDJ-MED-accc2c4d-3
0.561
EDJ-MED-b6c6ee2b-1
0.556
MAT-POS-38eb6498-3
0.556
ALP-POS-ecbed2ba-1
0.551
EDJ-MED-3707c4bc-1
0.548
VLA-UNK-61877630-10
0.543
EDJ-MED-5cd3920d-5
0.543
EDJ-MED-5cd3920d-6
0.543
EDJ-MED-4138fde9-4
0.543
MAT-POS-853c0ffa-8
0.539
MIK-ENA-30ee93be-1
0.536
EDJ-MED-3707c4bc-2
0.536
LUO-POS-e1dab717-5
0.535
EDJ-MED-b6c6ee2b-2
0.531
MAT-POS-853c0ffa-16
0.530
MAT-POS-853c0ffa-7
0.527
EDJ-MED-accc2c4d-4
0.524
MAT-POS-853c0ffa-18
0.523
MAT-POS-853c0ffa-22
0.523
ALP-POS-ecbed2ba-21
0.523
VLA-UNK-61877630-7
0.523
VLA-UNK-e334495f-1
0.523
MAT-POS-1bed62cf-1
0.519
LUO-POS-868e8996-9
0.519