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DocumentationIdentifier: MM346883
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM346883 |
| SMILES |
C=C(C)CC=C(CC)CC
|
| InChIKey |
XBHYLSHXFKVBPV-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM146607
Similarity: 0.873
Similarity to MM146607
| Tanimoto metric | 0.873 |
|---|---|
| Cosine metric | 0.9344 |
| Dice metric | 0.9322 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253503
Similarity: 0.8261
Similarity to MM253503
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9048 |
| Dice metric | 0.9048 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM324952
Similarity: 0.8082
Similarity to MM324952
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.8949 |
| Dice metric | 0.8939 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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