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DocumentationIdentifier: MM369327
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369327 |
| SMILES |
C=CC=CCCC(=O)OC
|
| InChIKey |
YUJHFGTXVYEJQC-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167396
Similarity: 0.8736
Similarity to MM167396
| Tanimoto metric | 0.8736 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9325 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91697
Similarity: 0.8085
Similarity to MM91697
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8941 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369329
Similarity: 0.7917
Similarity to MM369329
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.8837 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+473 more
