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DocumentationIdentifier: MM306211
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306211 |
| SMILES |
C=CC=C(CC=O)C(C)C
|
| InChIKey |
WTEHBPPICXFBRP-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180337
Similarity: 0.7872
Similarity to MM180337
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.881 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179003
Similarity: 0.7234
Similarity to MM179003
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8395 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175324
Similarity: 0.6542
Similarity to MM175324
| Tanimoto metric | 0.6542 |
|---|---|
| Cosine metric | 0.7925 |
| Dice metric | 0.791 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+610 more
