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DocumentationIdentifier: MM97534
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97534 |
| SMILES |
CC(O)C=CCN
|
| InChIKey |
GRSNBZWNZMOQON-UHFFFAOYSA-N
|
| MW [Da] |
101.15
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60902
Similarity: 0.7736
Similarity to MM60902
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8723 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62769
Similarity: 0.7455
Similarity to MM62769
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8634 |
| Dice metric | 0.8542 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113979
Similarity: 0.7321
Similarity to MM113979
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8454 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+688 more
