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DocumentationIdentifier: MM376108
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376108 |
| SMILES |
C=CCC#CCC(=C)OC
|
| InChIKey |
QAUUZUDISLRWAT-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376046
Similarity: 0.9474
Similarity to MM376046
| Tanimoto metric | 0.9474 |
|---|---|
| Cosine metric | 0.973 |
| Dice metric | 0.973 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169234
Similarity: 0.9459
Similarity to MM169234
| Tanimoto metric | 0.9459 |
|---|---|
| Cosine metric | 0.9726 |
| Dice metric | 0.9722 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376042
Similarity: 0.8434
Similarity to MM376042
| Tanimoto metric | 0.8434 |
|---|---|
| Cosine metric | 0.9155 |
| Dice metric | 0.915 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
