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DocumentationIdentifier: MM346122
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM346122 |
| SMILES |
CC#CCC(C)CCO
|
| InChIKey |
VRNZDXAPSZSMEH-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM346235
Similarity: 0.9672
Similarity to MM346235
| Tanimoto metric | 0.9672 |
|---|---|
| Cosine metric | 0.9835 |
| Dice metric | 0.9833 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280915
Similarity: 0.8676
Similarity to MM280915
| Tanimoto metric | 0.8676 |
|---|---|
| Cosine metric | 0.9315 |
| Dice metric | 0.9291 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM336219
Similarity: 0.831
Similarity to MM336219
| Tanimoto metric | 0.831 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9077 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+662 more
