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DocumentationIdentifier: MM178041
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178041 |
| SMILES |
N#CCC(C#N)NC=O
|
| InChIKey |
OECSXQFHFIDZEL-UHFFFAOYSA-N
|
| MW [Da] |
123.12
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37586
Similarity: 0.7927
Similarity to MM37586
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8844 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33868
Similarity: 0.7073
Similarity to MM33868
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.8286 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23642
Similarity: 0.7009
Similarity to MM23642
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8241 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+136 more
