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DocumentationIdentifier: MM255768
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM255768 |
| SMILES |
C=C(C)C#CC(O)C(=C)C
|
| InChIKey |
CKHHGBWCCOEMRG-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
MM163613
Similarity: 0.8364
Similarity to MM163613
| Tanimoto metric | 0.8364 |
|---|---|
| Cosine metric | 0.9145 |
| Dice metric | 0.9109 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163570
Similarity: 0.8091
Similarity to MM163570
| Tanimoto metric | 0.8091 |
|---|---|
| Cosine metric | 0.8995 |
| Dice metric | 0.8945 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293995
Similarity: 0.7542
Similarity to MM293995
| Tanimoto metric | 0.7542 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8599 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+642 more
