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DocumentationIdentifier: MM331578
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM331578 |
| SMILES |
C=CCC(C)=C(C)C(N)=O
|
| InChIKey |
MQJPSDQSHKQSME-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM323048
Similarity: 0.808
Similarity to MM323048
| Tanimoto metric | 0.808 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8938 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM332652
Similarity: 0.7372
Similarity to MM332652
| Tanimoto metric | 0.7372 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8487 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM321111
Similarity: 0.712
Similarity to MM321111
| Tanimoto metric | 0.712 |
|---|---|
| Cosine metric | 0.8438 |
| Dice metric | 0.8318 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
