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DocumentationIdentifier: MM46732
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46732 |
| SMILES |
C#CCNC(C)(C#C)C=O
|
| InChIKey |
VNESLOOQXZJSDK-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
-0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46003
Similarity: 0.8661
Similarity to MM46003
| Tanimoto metric | 0.8661 |
|---|---|
| Cosine metric | 0.9282 |
| Dice metric | 0.9282 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44723
Similarity: 0.7686
Similarity to MM44723
| Tanimoto metric | 0.7686 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8692 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45552
Similarity: 0.75
Similarity to MM45552
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8571 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
