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DocumentationIdentifier: MM109099
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM109099 |
| SMILES |
C=C(C)C(C)C(=C)C
|
| InChIKey |
AFQPKTBBNYINMQ-UHFFFAOYSA-N
|
| MW [Da] |
110.2
Automatically obtained from RDkit software. |
| LogP |
2.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM27062
Similarity: 0.75
Similarity to MM27062
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 96.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132949
Similarity: 0.7385
Similarity to MM132949
| Tanimoto metric | 0.7385 |
|---|---|
| Cosine metric | 0.8593 |
| Dice metric | 0.8496 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM117053
Similarity: 0.6667
Similarity to MM117053
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.8 |
| MW: | 108.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+475 more
