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DocumentationIdentifier: MM302057
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302057 |
| SMILES |
C=C(CNCCO)C(C)O
|
| InChIKey |
CRINPPDKJUESAI-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM302053
Similarity: 0.8818
Similarity to MM302053
| Tanimoto metric | 0.8818 |
|---|---|
| Cosine metric | 0.9377 |
| Dice metric | 0.9372 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61932
Similarity: 0.8785
Similarity to MM61932
| Tanimoto metric | 0.8785 |
|---|---|
| Cosine metric | 0.9373 |
| Dice metric | 0.9353 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302363
Similarity: 0.8261
Similarity to MM302363
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9049 |
| Dice metric | 0.9048 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+525 more
