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DocumentationIdentifier: MM71412
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71412 |
| SMILES |
C#CCC(=N)N(C)CC=O
|
| InChIKey |
ICHAAZJDWRHHHF-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM408468
Similarity: 0.7087
Similarity to MM408468
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8295 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354356
Similarity: 0.6618
Similarity to MM354356
| Tanimoto metric | 0.6618 |
|---|---|
| Cosine metric | 0.7976 |
| Dice metric | 0.7965 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293807
Similarity: 0.6475
Similarity to MM293807
| Tanimoto metric | 0.6475 |
|---|---|
| Cosine metric | 0.7866 |
| Dice metric | 0.786 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
