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DocumentationIdentifier: MM176380
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM176380 |
| SMILES |
CCC1(C)C(C)C1OC
|
| InChIKey |
PEMXTTRMAONLSR-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
2.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM375074
Similarity: 0.8251
Similarity to MM375074
| Tanimoto metric | 0.8251 |
|---|---|
| Cosine metric | 0.9084 |
| Dice metric | 0.9042 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM115137
Similarity: 0.7152
Similarity to MM115137
| Tanimoto metric | 0.7152 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.834 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403020
Similarity: 0.6954
Similarity to MM403020
| Tanimoto metric | 0.6954 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8203 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+473 more
