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DocumentationIdentifier: MM282026
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282026 |
| SMILES |
C#CCC=CC(=C)CC#C
|
| InChIKey |
IOUIFTIZRZDLJC-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
2.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158074
Similarity: 0.9167
Similarity to MM158074
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169940
Similarity: 0.8611
Similarity to MM169940
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282002
Similarity: 0.8462
Similarity to MM282002
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9167 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+632 more
