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DocumentationIdentifier: MM140092
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM140092 |
| SMILES |
C=CC(C)(C=C)C(=C)C
|
| InChIKey |
JUILHLJQYSLFLP-UHFFFAOYSA-N
|
| MW [Da] |
122.21
Automatically obtained from RDkit software. |
| LogP |
2.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM313877
Similarity: 1
Similarity to MM313877
| Tanimoto metric | 1 |
|---|---|
| Cosine metric | 1 |
| Dice metric | 1 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM28721
Similarity: 0.8333
Similarity to MM28721
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53117
Similarity: 0.7333
Similarity to MM53117
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
