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DocumentationIdentifier: MM358948
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358948 |
| SMILES |
C=CC(O)C(=C)C#CCC
|
| InChIKey |
KISGALFHWSTYOF-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174689
Similarity: 0.8632
Similarity to MM174689
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9291 |
| Dice metric | 0.9266 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359062
Similarity: 0.811
Similarity to MM359062
| Tanimoto metric | 0.811 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8957 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163654
Similarity: 0.7607
Similarity to MM163654
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8722 |
| Dice metric | 0.8641 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
