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DocumentationIdentifier: MM360830
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360830 |
| SMILES |
C=CC(=O)C(C)=CCCC
|
| InChIKey |
UMRFGFZHRFQVOG-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175582
Similarity: 0.8738
Similarity to MM175582
| Tanimoto metric | 0.8738 |
|---|---|
| Cosine metric | 0.9348 |
| Dice metric | 0.9326 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360903
Similarity: 0.8246
Similarity to MM360903
| Tanimoto metric | 0.8246 |
|---|---|
| Cosine metric | 0.9039 |
| Dice metric | 0.9038 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360901
Similarity: 0.8036
Similarity to MM360901
| Tanimoto metric | 0.8036 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8911 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+523 more
