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DocumentationIdentifier: MM449084
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM449084 |
| SMILES |
C#CCCOCC=NOC
|
| InChIKey |
XJOOPXZEPPVELO-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84322
Similarity: 0.7342
Similarity to MM84322
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8467 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33664
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| Tanimoto metric | 0.6824 |
|---|---|
| Cosine metric | 0.8112 |
| Dice metric | 0.8112 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM448334
Similarity: 0.6824
Similarity to MM448334
| Tanimoto metric | 0.6824 |
|---|---|
| Cosine metric | 0.8112 |
| Dice metric | 0.8112 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+689 more
