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DocumentationIdentifier: MM304509
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304509 |
| SMILES |
C#CCC(=CCN)NC=O
|
| InChIKey |
CTFHYXFJTOINQR-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178954
Similarity: 0.7521
Similarity to MM178954
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8585 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304544
Similarity: 0.705
Similarity to MM304544
| Tanimoto metric | 0.705 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.827 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75423
Similarity: 0.6599
Similarity to MM75423
| Tanimoto metric | 0.6599 |
|---|---|
| Cosine metric | 0.7951 |
| Dice metric | 0.7951 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
