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DocumentationIdentifier: MM419042
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM419042 |
| SMILES |
C=CC1NC1C(=O)CCC
|
| InChIKey |
UJPAIZVVBZINPJ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM416868
Similarity: 0.8844
Similarity to MM416868
| Tanimoto metric | 0.8844 |
|---|---|
| Cosine metric | 0.9404 |
| Dice metric | 0.9387 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411120
Similarity: 0.7554
Similarity to MM411120
| Tanimoto metric | 0.7554 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8606 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396757
Similarity: 0.696
Similarity to MM396757
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8208 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
