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DocumentationIdentifier: MM138618
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138618 |
| SMILES |
C=CC(C)(C)CC=CF
|
| InChIKey |
YYVJDNMTRVJHQK-UHFFFAOYSA-N
|
| MW [Da] |
128.19
Automatically obtained from RDkit software. |
| LogP |
3.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM310184
Similarity: 0.8261
Similarity to MM310184
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228776
Similarity: 0.8028
Similarity to MM228776
| Tanimoto metric | 0.8028 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8906 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242516
Similarity: 0.7703
Similarity to MM242516
| Tanimoto metric | 0.7703 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8702 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+624 more
