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DocumentationIdentifier: MM451597
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451597 |
| SMILES |
CCCC=CCOCC#N
|
| InChIKey |
FFIGWMGNCOCMIM-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213781
Similarity: 0.8594
Similarity to MM213781
| Tanimoto metric | 0.8594 |
|---|---|
| Cosine metric | 0.927 |
| Dice metric | 0.9244 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214713
Similarity: 0.7813
Similarity to MM214713
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8839 |
| Dice metric | 0.8772 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451744
Similarity: 0.7639
Similarity to MM451744
| Tanimoto metric | 0.7639 |
|---|---|
| Cosine metric | 0.8662 |
| Dice metric | 0.8661 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+691 more
