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DocumentationIdentifier: MM296646
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296646 |
| SMILES |
C#CCC(=C)C(C)=CCC
|
| InChIKey |
JDJVTLLQQMKRGX-UHFFFAOYSA-N
|
| MW [Da] |
134.22
Automatically obtained from RDkit software. |
| LogP |
2.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174951
Similarity: 0.8365
Similarity to MM174951
| Tanimoto metric | 0.8365 |
|---|---|
| Cosine metric | 0.9146 |
| Dice metric | 0.911 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360808
Similarity: 0.7544
Similarity to MM360808
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.86 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296662
Similarity: 0.7459
Similarity to MM296662
| Tanimoto metric | 0.7459 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8545 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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