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DocumentationIdentifier: MM265567
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM265567 |
| SMILES |
CC(=CCO)CC(O)C#N
|
| InChIKey |
AOTFYXFYADWNHN-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142968
Similarity: 0.8468
Similarity to MM142968
| Tanimoto metric | 0.8468 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.9171 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265566
Similarity: 0.8167
Similarity to MM265566
| Tanimoto metric | 0.8167 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8991 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM248379
Similarity: 0.746
Similarity to MM248379
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8545 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
