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DocumentationIdentifier: MM330806
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330806 |
| SMILES |
C#CC(C#C)NC(=O)CC
|
| InChIKey |
KPUGHHWDHXZMQH-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142471
Similarity: 0.9082
Similarity to MM142471
| Tanimoto metric | 0.9082 |
|---|---|
| Cosine metric | 0.953 |
| Dice metric | 0.9519 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262962
Similarity: 0.7876
Similarity to MM262962
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8816 |
| Dice metric | 0.8812 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262998
Similarity: 0.7739
Similarity to MM262998
| Tanimoto metric | 0.7739 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8725 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
