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DocumentationIdentifier: MM454027
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454027 |
| SMILES |
CCCN1CC1C(=O)CC
|
| InChIKey |
SUEGUYBQIFIPNY-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM394127
Similarity: 0.7788
Similarity to MM394127
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8772 |
| Dice metric | 0.8757 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265989
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| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8728 |
| Dice metric | 0.871 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM403078
Similarity: 0.7241
Similarity to MM403078
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
