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DocumentationIdentifier: MM281328
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281328 |
| SMILES |
CC#CC(N)CC#CCN
|
| InChIKey |
VBXSEIVDTALTCP-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63286
Similarity: 0.9104
Similarity to MM63286
| Tanimoto metric | 0.9104 |
|---|---|
| Cosine metric | 0.9542 |
| Dice metric | 0.9531 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157621
Similarity: 0.8806
Similarity to MM157621
| Tanimoto metric | 0.8806 |
|---|---|
| Cosine metric | 0.9384 |
| Dice metric | 0.9365 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64848
Similarity: 0.875
Similarity to MM64848
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9334 |
| Dice metric | 0.9333 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+525 more
