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DocumentationIdentifier: MM379852
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379852 |
| SMILES |
C#CC#CCN1CC1C=O
|
| InChIKey |
RNSVSPHJUWKAIC-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM379495
Similarity: 0.9185
Similarity to MM379495
| Tanimoto metric | 0.9185 |
|---|---|
| Cosine metric | 0.9584 |
| Dice metric | 0.9575 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379308
Similarity: 0.7778
Similarity to MM379308
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378389
Similarity: 0.6966
Similarity to MM378389
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8258 |
| Dice metric | 0.8212 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
