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DocumentationIdentifier: MM409089
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409089 |
| SMILES |
C=CC(=CC1CN1C)CC
|
| InChIKey |
OCXARWHLCQTOJK-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
MM185079
Similarity: 0.7784
Similarity to MM185079
| Tanimoto metric | 0.7784 |
|---|---|
| Cosine metric | 0.8823 |
| Dice metric | 0.8754 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409497
Similarity: 0.7386
Similarity to MM409497
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8497 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM185047
Similarity: 0.7365
Similarity to MM185047
| Tanimoto metric | 0.7365 |
|---|---|
| Cosine metric | 0.8582 |
| Dice metric | 0.8483 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+154 more
