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DocumentationIdentifier: MM279573
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279573 |
| SMILES |
CC#CC(=O)CCCNC
|
| InChIKey |
MMCHGLRHJUREDS-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM91589
Similarity: 0.8043
Similarity to MM91589
| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8969 |
| Dice metric | 0.8916 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92690
Similarity: 0.6198
Similarity to MM92690
| Tanimoto metric | 0.6198 |
|---|---|
| Cosine metric | 0.7667 |
| Dice metric | 0.7653 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34157
Similarity: 0.6087
Similarity to MM34157
| Tanimoto metric | 0.6087 |
|---|---|
| Cosine metric | 0.7802 |
| Dice metric | 0.7568 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+498 more
