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DocumentationIdentifier: MM266357
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266357 |
| SMILES |
CCCC(O)C=C(C)CO
|
| InChIKey |
IRBFMWUTVUFISW-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM266358
Similarity: 0.7453
Similarity to MM266358
| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8541 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390274
Similarity: 0.6981
Similarity to MM390274
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.8222 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM247319
Similarity: 0.6814
Similarity to MM247319
| Tanimoto metric | 0.6814 |
|---|---|
| Cosine metric | 0.8106 |
| Dice metric | 0.8105 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+685 more
