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DocumentationIdentifier: MM405545
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405545 |
| SMILES |
C#CC(CN)NCC#CC
|
| InChIKey |
OIXWENQBZROYEO-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199148
Similarity: 0.8313
Similarity to MM199148
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9079 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61166
Similarity: 0.8144
Similarity to MM61166
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8977 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64348
Similarity: 0.7108
Similarity to MM64348
| Tanimoto metric | 0.7108 |
|---|---|
| Cosine metric | 0.8431 |
| Dice metric | 0.831 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+423 more
