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DocumentationIdentifier: MM194900
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194900 |
| SMILES |
C=CCN1CC1C=CC
|
| InChIKey |
NZBFESIMMRJGHP-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM441175
Similarity: 0.9664
Similarity to MM441175
| Tanimoto metric | 0.9664 |
|---|---|
| Cosine metric | 0.983 |
| Dice metric | 0.9829 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447626
Similarity: 0.876
Similarity to MM447626
| Tanimoto metric | 0.876 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9339 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127972
Similarity: 0.8696
Similarity to MM127972
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9325 |
| Dice metric | 0.9302 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+338 more
