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DocumentationIdentifier: MM225860
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225860 |
| SMILES |
CC(C)=C(C)C(C)(C)C#N
|
| InChIKey |
QDQDMPRQMPYCFP-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
2.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138025
Similarity: 0.8416
Similarity to MM138025
| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.914 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161550
Similarity: 0.7723
Similarity to MM161550
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8715 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242841
Similarity: 0.735
Similarity to MM242841
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8473 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
