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DocumentationIdentifier: MM53072
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53072 |
| SMILES |
C=CC(C=C)(CC)CC
|
| InChIKey |
XAXYTHWQHBSHRO-UHFFFAOYSA-N
|
| MW [Da] |
124.23
Automatically obtained from RDkit software. |
| LogP |
3.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35102
Similarity: 0.8
Similarity to MM35102
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 112.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35176
Similarity: 0.8
Similarity to MM35176
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53046
Similarity: 0.7547
Similarity to MM53046
| Tanimoto metric | 0.7547 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8602 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 3.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+558 more
