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DocumentationIdentifier: MM291909
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291909 |
| SMILES |
C=CCOCC(=C)CNC
|
| InChIKey |
IDLBSKNBQNERIC-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.96
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: 0.9167
Similarity to MM156108
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291758
Similarity: 0.8778
Similarity to MM291758
| Tanimoto metric | 0.8778 |
|---|---|
| Cosine metric | 0.9349 |
| Dice metric | 0.9349 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292006
Similarity: 0.7624
Similarity to MM292006
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8665 |
| Dice metric | 0.8652 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
