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DocumentationIdentifier: MM390172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390172 |
| SMILES |
C=C(C(C)O)C(C)(C)CC
|
| InChIKey |
CIASUWDFJZJVOE-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM364895
Similarity: 0.7787
Similarity to MM364895
| Tanimoto metric | 0.7787 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8756 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM375510
Similarity: 0.6667
Similarity to MM375510
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8001 |
| Dice metric | 0.8 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342933
Similarity: 0.6618
Similarity to MM342933
| Tanimoto metric | 0.6618 |
|---|---|
| Cosine metric | 0.799 |
| Dice metric | 0.7965 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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