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DocumentationIdentifier: MM220749
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220749 |
| SMILES |
CC(C)C(C#N)C(C)(C)O
|
| InChIKey |
MKYYWTHRAJTKPL-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180968
Similarity: 0.8119
Similarity to MM180968
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8962 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232001
Similarity: 0.696
Similarity to MM232001
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8217 |
| Dice metric | 0.8208 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58528
Similarity: 0.6825
Similarity to MM58528
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8122 |
| Dice metric | 0.8113 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+357 more
