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DocumentationIdentifier: MM168308
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168308 |
| SMILES |
CN(C=O)CC=CCO
|
| InChIKey |
TZEHTWAIIIVJQA-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24605
Similarity: 0.7612
Similarity to MM24605
| Tanimoto metric | 0.7612 |
|---|---|
| Cosine metric | 0.8725 |
| Dice metric | 0.8644 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM324670
Similarity: 0.7528
Similarity to MM324670
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.859 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258942
Similarity: 0.7363
Similarity to MM258942
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8481 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+316 more
