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DocumentationIdentifier: MM308289
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308289 |
| SMILES |
C#CCOC(C)(CC)CO
|
| InChIKey |
PIKXJOVXUNPMRS-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77116
Similarity: 0.7281
Similarity to MM77116
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8432 |
| Dice metric | 0.8426 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198773
Similarity: 0.7059
Similarity to MM198773
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77149
Similarity: 0.7025
Similarity to MM77149
| Tanimoto metric | 0.7025 |
|---|---|
| Cosine metric | 0.8253 |
| Dice metric | 0.8252 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+563 more
