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DocumentationIdentifier: MM260494
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM260494 |
| SMILES |
CC(C)=CCOC(C)C#N
|
| InChIKey |
DEHSVILIMPKCNV-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167314
Similarity: 0.8649
Similarity to MM167314
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91605
Similarity: 0.8101
Similarity to MM91605
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8951 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91646
Similarity: 0.7901
Similarity to MM91646
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8829 |
| Dice metric | 0.8828 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+508 more
