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DocumentationIdentifier: MM307408
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307408 |
| SMILES |
CC#CC(C(C)=O)C(C)O
|
| InChIKey |
MFERSVBKFCLUCJ-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52901
Similarity: 0.7703
Similarity to MM52901
| Tanimoto metric | 0.7703 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8702 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52380
Similarity: 0.6689
Similarity to MM52380
| Tanimoto metric | 0.6689 |
|---|---|
| Cosine metric | 0.8179 |
| Dice metric | 0.8016 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389370
Similarity: 0.6359
Similarity to MM389370
| Tanimoto metric | 0.6359 |
|---|---|
| Cosine metric | 0.7775 |
| Dice metric | 0.7774 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
