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DocumentationIdentifier: MM209471
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM209471 |
| SMILES |
C=CC(=O)C=CC1CC1
|
| InChIKey |
SNCOTCIPLGTKEA-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM121292
Similarity: 0.8095
Similarity to MM121292
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419399
Similarity: 0.7304
Similarity to MM419399
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8442 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM434961
Similarity: 0.7048
Similarity to MM434961
| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.8268 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
