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DocumentationIdentifier: MM429264
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM429264 |
| SMILES |
C#CCN1CC1C(=O)C#C
|
| InChIKey |
ZKZNLDPVCFOUTR-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
MM427473
Similarity: 0.8654
Similarity to MM427473
| Tanimoto metric | 0.8654 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429125
Similarity: 0.8044
Similarity to MM429125
| Tanimoto metric | 0.8044 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8916 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM415327
Similarity: 0.7837
Similarity to MM415327
| Tanimoto metric | 0.7837 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8787 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+61 more
