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DocumentationIdentifier: MM292006
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292006 |
| SMILES |
C#CCOCC(=C)CNC
|
| InChIKey |
IPJJZAOHPQEBFL-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156108
Similarity: 0.8191
Similarity to MM156108
| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9006 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70784
Similarity: 0.8085
Similarity to MM70784
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291909
Similarity: 0.7624
Similarity to MM291909
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8665 |
| Dice metric | 0.8652 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
