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DocumentationIdentifier: MM209300
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM209300 |
| SMILES |
CCC(N)C=CC1CN1
|
| InChIKey |
FPOAWXHJUZITCX-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM434750
Similarity: 0.8932
Similarity to MM434750
| Tanimoto metric | 0.8932 |
|---|---|
| Cosine metric | 0.9451 |
| Dice metric | 0.9436 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM193014
Similarity: 0.8241
Similarity to MM193014
| Tanimoto metric | 0.8241 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9036 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM455781
Similarity: 0.8214
Similarity to MM455781
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+146 more
