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DocumentationIdentifier: MM334476
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334476 |
| SMILES |
C=CC(=C)OC(C=O)=CN
|
| InChIKey |
ZBSIFOJJWGPKRK-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44730
Similarity: 0.7561
Similarity to MM44730
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142836
Similarity: 0.6748
Similarity to MM142836
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8058 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334369
Similarity: 0.6424
Similarity to MM334369
| Tanimoto metric | 0.6424 |
|---|---|
| Cosine metric | 0.7823 |
| Dice metric | 0.7823 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+136 more
