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DocumentationIdentifier: MM358435
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358435 |
| SMILES |
C=COCC(O)C#CCO
|
| InChIKey |
VOYJTCMZPKPVPU-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157519
Similarity: 0.8851
Similarity to MM157519
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158319
Similarity: 0.8046
Similarity to MM158319
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.8917 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358434
Similarity: 0.8021
Similarity to MM358434
| Tanimoto metric | 0.8021 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8902 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+526 more
