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DocumentationIdentifier: MM212989
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM212989 |
| SMILES |
C=COCCNCCO
|
| InChIKey |
VFWJIRZNZHAGOS-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM125593
Similarity: 0.9184
Similarity to MM125593
| Tanimoto metric | 0.9184 |
|---|---|
| Cosine metric | 0.9583 |
| Dice metric | 0.9574 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213111
Similarity: 0.7627
Similarity to MM213111
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8668 |
| Dice metric | 0.8654 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM212988
Similarity: 0.7627
Similarity to MM212988
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8668 |
| Dice metric | 0.8654 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
