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DocumentationIdentifier: MM441175
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM441175 |
| SMILES |
CC=CCN1CC1C=CC
|
| InChIKey |
NDHSYLAOEQZBEU-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194900
Similarity: 0.9664
Similarity to MM194900
| Tanimoto metric | 0.9664 |
|---|---|
| Cosine metric | 0.983 |
| Dice metric | 0.9829 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447626
Similarity: 0.9091
Similarity to MM447626
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9528 |
| Dice metric | 0.9524 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216984
Similarity: 0.8739
Similarity to MM216984
| Tanimoto metric | 0.8739 |
|---|---|
| Cosine metric | 0.9349 |
| Dice metric | 0.9327 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+418 more
