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DocumentationIdentifier: MM370327
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370327 |
| SMILES |
C#CC(CC(C)O)C(C)C
|
| InChIKey |
JMDNKNKVMVGGAJ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373576
Similarity: 0.7935
Similarity to MM373576
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8908 |
| Dice metric | 0.8848 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404444
Similarity: 0.7257
Similarity to MM404444
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.841 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM332441
Similarity: 0.7157
Similarity to MM332441
| Tanimoto metric | 0.7157 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8343 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+417 more
