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DocumentationIdentifier: MM102652
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102652 |
| SMILES |
C=C(C=O)C(C)(C)C
|
| InChIKey |
DHGPQZABCDXAEA-UHFFFAOYSA-N
|
| MW [Da] |
112.17
Automatically obtained from RDkit software. |
| LogP |
1.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 98.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137835
Similarity: 0.6667
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| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
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| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
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Total active interactions
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MM137924
Similarity: 0.6585
Similarity to MM137924
| Tanimoto metric | 0.6585 |
|---|---|
| Cosine metric | 0.8115 |
| Dice metric | 0.7941 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
