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DocumentationIdentifier: MM76543
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76543 |
| SMILES |
CC#CC(N)C#CCCN
|
| InChIKey |
RYCRCCYSFUPAFY-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
MM170581
Similarity: 0.9063
Similarity to MM170581
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82232
Similarity: 0.7532
Similarity to MM82232
| Tanimoto metric | 0.7532 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8593 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78907
Similarity: 0.6875
Similarity to MM78907
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+538 more
