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DocumentationIdentifier: MM381247
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381247 |
| SMILES |
O=CNCC(=CCO)CO
|
| InChIKey |
QOWOKBBSJIMTCJ-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199905
Similarity: 0.8286
Similarity to MM199905
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397371
Similarity: 0.7355
Similarity to MM397371
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8476 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89876
Similarity: 0.696
Similarity to MM89876
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.8208 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
