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DocumentationIdentifier: MM412366
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM412366 |
| SMILES |
CC=CC=C(C)C(C)(C)O
|
| InChIKey |
WCWVAXOSFBHWTP-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM411547
Similarity: 0.8661
Similarity to MM411547
| Tanimoto metric | 0.8661 |
|---|---|
| Cosine metric | 0.9306 |
| Dice metric | 0.9282 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412436
Similarity: 0.7313
Similarity to MM412436
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8448 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366993
Similarity: 0.7143
Similarity to MM366993
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+464 more
