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DocumentationIdentifier: MM142103
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142103 |
| SMILES |
C=CC(=C)CC(C)CC
|
| InChIKey |
IAITYYHLVLLJRD-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
MM328872
Similarity: 0.9118
Similarity to MM328872
| Tanimoto metric | 0.9118 |
|---|---|
| Cosine metric | 0.9549 |
| Dice metric | 0.9538 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262176
Similarity: 0.8986
Similarity to MM262176
| Tanimoto metric | 0.8986 |
|---|---|
| Cosine metric | 0.9479 |
| Dice metric | 0.9466 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262241
Similarity: 0.8857
Similarity to MM262241
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+457 more
