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DocumentationIdentifier: MM295058
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295058 |
| SMILES |
CCCNC=C(C)C(C)=O
|
| InChIKey |
UVOUTROUWJTMPX-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48413
Similarity: 0.9109
Similarity to MM48413
| Tanimoto metric | 0.9109 |
|---|---|
| Cosine metric | 0.9544 |
| Dice metric | 0.9534 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74156
Similarity: 0.8378
Similarity to MM74156
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9118 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM256107
Similarity: 0.807
Similarity to MM256107
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8932 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+443 more
