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DocumentationIdentifier: MM451199
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451199 |
| SMILES |
COCCN=CNCCO
|
| InChIKey |
BIODCMSXSOWXFV-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM448176
Similarity: 0.8261
Similarity to MM448176
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9052 |
| Dice metric | 0.9048 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213597
Similarity: 0.8154
Similarity to MM213597
| Tanimoto metric | 0.8154 |
|---|---|
| Cosine metric | 0.8988 |
| Dice metric | 0.8983 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89031
Similarity: 0.8033
Similarity to MM89031
| Tanimoto metric | 0.8033 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.8909 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
