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DocumentationIdentifier: MM346037
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM346037 |
| SMILES |
C=CC(C=C)CC=C(C)C
|
| InChIKey |
XKZWRKROAXWCOX-UHFFFAOYSA-N
|
| MW [Da] |
136.24
Automatically obtained from RDkit software. |
| LogP |
3.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146319
Similarity: 0.8667
Similarity to MM146319
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199605
Similarity: 0.8
Similarity to MM199605
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406929
Similarity: 0.7273
Similarity to MM406929
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8421 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
