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DocumentationIdentifier: MM251024
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251024 |
| SMILES |
C#CCC(=C)OCC(C)C
|
| InChIKey |
PDAIHSXFYALAMH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156649
Similarity: 0.8452
Similarity to MM156649
| Tanimoto metric | 0.8452 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9161 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318405
Similarity: 0.7938
Similarity to MM318405
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8851 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM278500
Similarity: 0.7474
Similarity to MM278500
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8554 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+613 more
