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DocumentationIdentifier: MM103040
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM103040 |
| SMILES |
C=CC(C)(C)CCC
|
| InChIKey |
RXYYKIMRVXDSFR-UHFFFAOYSA-N
|
| MW [Da] |
112.22
Automatically obtained from RDkit software. |
| LogP |
3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138393
Similarity: 0.8571
Similarity to MM138393
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130653
Similarity: 0.8571
Similarity to MM130653
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220637
Similarity: 0.8235
Similarity to MM220637
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 140.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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