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DocumentationIdentifier: MM460926
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM460926 |
| SMILES |
C=CC1C(C(=O)CO)N1C
|
| InChIKey |
DBJLKXFQXUCDNP-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM460610
Similarity: 0.7544
Similarity to MM460610
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460604
Similarity: 0.6737
Similarity to MM460604
| Tanimoto metric | 0.6737 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.805 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194417
Similarity: 0.6536
Similarity to MM194417
| Tanimoto metric | 0.6536 |
|---|---|
| Cosine metric | 0.7911 |
| Dice metric | 0.7905 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
