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DocumentationIdentifier: MM138393
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138393 |
| SMILES |
C=CCCC(C)(C)C=C
|
| InChIKey |
YWOCVROBRVNVFV-UHFFFAOYSA-N
|
| MW [Da] |
124.23
Automatically obtained from RDkit software. |
| LogP |
3.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM226411
Similarity: 0.8909
Similarity to MM226411
| Tanimoto metric | 0.8909 |
|---|---|
| Cosine metric | 0.9439 |
| Dice metric | 0.9423 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103040
Similarity: 0.8571
Similarity to MM103040
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 112.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309364
Similarity: 0.8033
Similarity to MM309364
| Tanimoto metric | 0.8033 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.8909 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+653 more
