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DocumentationIdentifier: MM72335
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72335 |
| SMILES |
C#CCC(O)C(C)=CCO
|
| InChIKey |
IXBULPRKAUOOKX-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM364548
Similarity: 0.8151
Similarity to MM364548
| Tanimoto metric | 0.8151 |
|---|---|
| Cosine metric | 0.9028 |
| Dice metric | 0.8981 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175067
Similarity: 0.7479
Similarity to MM175067
| Tanimoto metric | 0.7479 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8558 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65828
Similarity: 0.6794
Similarity to MM65828
| Tanimoto metric | 0.6794 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.8091 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+531 more
