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DocumentationIdentifier: MM384459
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM384459 |
| SMILES |
C=CCCN1CC1C=O
|
| InChIKey |
XKTZZYXNERJMMU-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM385563
Similarity: 0.8087
Similarity to MM385563
| Tanimoto metric | 0.8087 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8942 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387380
Similarity: 0.7616
Similarity to MM387380
| Tanimoto metric | 0.7616 |
|---|---|
| Cosine metric | 0.8727 |
| Dice metric | 0.8647 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385981
Similarity: 0.7099
Similarity to MM385981
| Tanimoto metric | 0.7099 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8304 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+131 more
