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DocumentationIdentifier: MM384463
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM384463 |
| SMILES |
C#CCCN1CC1C=O
|
| InChIKey |
ROCZFIVWIQUZBO-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
-0.11
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: 0.8017
Similarity to MM385563
| Tanimoto metric | 0.8017 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.89 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383142
Similarity: 0.7484
Similarity to MM383142
| Tanimoto metric | 0.7484 |
|---|---|
| Cosine metric | 0.8651 |
| Dice metric | 0.8561 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385981
Similarity: 0.7045
Similarity to MM385981
| Tanimoto metric | 0.7045 |
|---|---|
| Cosine metric | 0.8271 |
| Dice metric | 0.8267 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+140 more
