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DocumentationIdentifier: MM68653
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68653 |
| SMILES |
NC(=O)CCC#CCC=O
|
| InChIKey |
JHMJLWKZISFHSM-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153462
Similarity: 0.9385
Similarity to MM153462
| Tanimoto metric | 0.9385 |
|---|---|
| Cosine metric | 0.9687 |
| Dice metric | 0.9683 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288291
Similarity: 0.9104
Similarity to MM288291
| Tanimoto metric | 0.9104 |
|---|---|
| Cosine metric | 0.9532 |
| Dice metric | 0.9531 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288292
Similarity: 0.8841
Similarity to MM288292
| Tanimoto metric | 0.8841 |
|---|---|
| Cosine metric | 0.9385 |
| Dice metric | 0.9385 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+380 more
