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DocumentationIdentifier: MM385981
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385981 |
| SMILES |
CCCCN1CC1C=O
|
| InChIKey |
MIXPIISMFMYGMJ-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
MM385563
Similarity: 0.8532
Similarity to MM385563
| Tanimoto metric | 0.8532 |
|---|---|
| Cosine metric | 0.9237 |
| Dice metric | 0.9208 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384461
Similarity: 0.7121
Similarity to MM384461
| Tanimoto metric | 0.7121 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8319 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384459
Similarity: 0.7099
Similarity to MM384459
| Tanimoto metric | 0.7099 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8304 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+156 more
