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DocumentationIdentifier: MM384461
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM384461 |
| SMILES |
N#CCCN1CC1C=O
|
| InChIKey |
UIAOZGCYVREVKH-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
-0.22
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: 0.7949
Similarity to MM385563
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385981
Similarity: 0.7121
Similarity to MM385981
| Tanimoto metric | 0.7121 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8319 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373283
Similarity: 0.7006
Similarity to MM373283
| Tanimoto metric | 0.7006 |
|---|---|
| Cosine metric | 0.837 |
| Dice metric | 0.8239 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
