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DocumentationIdentifier: MM293653
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293653 |
| SMILES |
C#CCC(=C)C(O)CC#N
|
| InChIKey |
RYXYAFZQJXEBJS-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386903
Similarity: 0.748
Similarity to MM386903
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8558 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172511
Similarity: 0.7398
Similarity to MM172511
| Tanimoto metric | 0.7398 |
|---|---|
| Cosine metric | 0.8601 |
| Dice metric | 0.8505 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71825
Similarity: 0.6765
Similarity to MM71825
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.8095 |
| Dice metric | 0.807 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+316 more
