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DocumentationIdentifier: MM81230
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81230 |
| SMILES |
C=C(C=CCN)CNC
|
| InChIKey |
BSWXWXLWHXZSOM-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM281747
Similarity: 0.9211
Similarity to MM281747
| Tanimoto metric | 0.9211 |
|---|---|
| Cosine metric | 0.9597 |
| Dice metric | 0.9589 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74626
Similarity: 0.8429
Similarity to MM74626
| Tanimoto metric | 0.8429 |
|---|---|
| Cosine metric | 0.9181 |
| Dice metric | 0.9147 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81232
Similarity: 0.7895
Similarity to MM81232
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8827 |
| Dice metric | 0.8824 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+594 more
