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DocumentationIdentifier: MM387380
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387380 |
| SMILES |
C=CCCN1C(C)C1C=O
|
| InChIKey |
OWUYCKDPSAXOLQ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM384459
Similarity: 0.7616
Similarity to MM384459
| Tanimoto metric | 0.7616 |
|---|---|
| Cosine metric | 0.8727 |
| Dice metric | 0.8647 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386714
Similarity: 0.7285
Similarity to MM386714
| Tanimoto metric | 0.7285 |
|---|---|
| Cosine metric | 0.8535 |
| Dice metric | 0.8429 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385563
Similarity: 0.6159
Similarity to MM385563
| Tanimoto metric | 0.6159 |
|---|---|
| Cosine metric | 0.7848 |
| Dice metric | 0.7623 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+91 more
