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DocumentationIdentifier: MM405338
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405338 |
| SMILES |
C=CC(=CC=CCO)CC
|
| InChIKey |
YXEJXLZZNARKQH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM202012
Similarity: 0.8052
Similarity to MM202012
| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8921 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295542
Similarity: 0.7753
Similarity to MM295542
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8737 |
| Dice metric | 0.8734 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM347589
Similarity: 0.7561
Similarity to MM347589
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8611 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+370 more
