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DocumentationIdentifier: MM450504
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM450504 |
| SMILES |
CCC(=O)CCN1CC1
|
| InChIKey |
QDMCDMOWJOQWQT-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM450426
Similarity: 0.87
Similarity to MM450426
| Tanimoto metric | 0.87 |
|---|---|
| Cosine metric | 0.9327 |
| Dice metric | 0.9305 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM432775
Similarity: 0.8276
Similarity to MM432775
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM449456
Similarity: 0.6797
Similarity to MM449456
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8093 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
