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DocumentationIdentifier: MM211026
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM211026 |
| SMILES |
C=CC(C)N1CC1C=C
|
| InChIKey |
USDIYKKEYOJRPV-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
MM427921
Similarity: 0.9237
Similarity to MM427921
| Tanimoto metric | 0.9237 |
|---|---|
| Cosine metric | 0.9611 |
| Dice metric | 0.9604 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345240
Similarity: 0.8074
Similarity to MM345240
| Tanimoto metric | 0.8074 |
|---|---|
| Cosine metric | 0.8986 |
| Dice metric | 0.8934 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127854
Similarity: 0.7798
Similarity to MM127854
| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.8831 |
| Dice metric | 0.8763 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
