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DocumentationIdentifier: MM130858
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130858 |
| SMILES |
C=CC(C)(C)OC(=C)C
|
| InChIKey |
DRRADHUCGZMVCF-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229529
Similarity: 0.8367
Similarity to MM229529
| Tanimoto metric | 0.8367 |
|---|---|
| Cosine metric | 0.9147 |
| Dice metric | 0.9111 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227099
Similarity: 0.8283
Similarity to MM227099
| Tanimoto metric | 0.8283 |
|---|---|
| Cosine metric | 0.9101 |
| Dice metric | 0.9061 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227035
Similarity: 0.7961
Similarity to MM227035
| Tanimoto metric | 0.7961 |
|---|---|
| Cosine metric | 0.8923 |
| Dice metric | 0.8865 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+486 more
