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DocumentationIdentifier: MM100905
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM100905 |
| SMILES |
CCC=CCC#N
|
| InChIKey |
SSVBJXJTXFYDNC-UHFFFAOYSA-N
|
| MW [Da] |
95.15
Automatically obtained from RDkit software. |
| LogP |
1.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM39794
Similarity: 0.9333
Similarity to MM39794
| Tanimoto metric | 0.9333 |
|---|---|
| Cosine metric | 0.9661 |
| Dice metric | 0.9655 |
| MW: | 106.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25217
Similarity: 0.8571
Similarity to MM25217
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 81.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126681
Similarity: 0.7778
Similarity to MM126681
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+537 more
