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DocumentationIdentifier: MM162578
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162578 |
| SMILES |
C#CCNC(=O)C(C)O
|
| InChIKey |
LDDHATGHIWWNGC-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
-0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351424
Similarity: 0.8031
Similarity to MM351424
| Tanimoto metric | 0.8031 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8908 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350680
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Similarity to MM350680
| Tanimoto metric | 0.8031 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8908 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM351646
Similarity: 0.7907
Similarity to MM351646
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8831 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+381 more
