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DocumentationIdentifier: MM71078
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71078 |
| SMILES |
CCNC(=O)C#CCC=O
|
| InChIKey |
PMQCUAMEJFTPKP-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158490
Similarity: 0.8791
Similarity to MM158490
| Tanimoto metric | 0.8791 |
|---|---|
| Cosine metric | 0.9376 |
| Dice metric | 0.9357 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49755
Similarity: 0.8242
Similarity to MM49755
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62238
Similarity: 0.8119
Similarity to MM62238
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8962 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
