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DocumentationIdentifier: MM379712
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379712 |
| SMILES |
CCC(C#CCN)NC=O
|
| InChIKey |
ZPJNQUGEVPBISE-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178360
Similarity: 0.8447
Similarity to MM178360
| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379804
Similarity: 0.696
Similarity to MM379804
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8211 |
| Dice metric | 0.8208 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379802
Similarity: 0.6905
Similarity to MM379802
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8173 |
| Dice metric | 0.8169 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
