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DocumentationIdentifier: MM281339
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281339 |
| SMILES |
C=CC#CCC(N)C#CC
|
| InChIKey |
PNEFSKLLCBOBQC-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169196
Similarity: 0.8919
Similarity to MM169196
| Tanimoto metric | 0.8919 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9429 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359239
Similarity: 0.875
Similarity to MM359239
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9334 |
| Dice metric | 0.9333 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282741
Similarity: 0.8
Similarity to MM282741
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8889 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+666 more
