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DocumentationIdentifier: MM49086
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM49086 |
| SMILES |
NCC#CCC=CC(N)=O
|
| InChIKey |
FCUVTFJVNXQRGU-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM308744
Similarity: 0.8353
Similarity to MM308744
| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9103 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288077
Similarity: 0.8161
Similarity to MM288077
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8987 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299905
Similarity: 0.703
Similarity to MM299905
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8256 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+398 more
