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DocumentationIdentifier: MM409103
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409103 |
| SMILES |
C=CC(=CC1CN1C)CN
|
| InChIKey |
CDMAEWTYIUCSFM-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.37
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: 0.8025
Similarity to MM185079
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409497
Similarity: 0.7602
Similarity to MM409497
| Tanimoto metric | 0.7602 |
|---|---|
| Cosine metric | 0.8663 |
| Dice metric | 0.8638 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM185048
Similarity: 0.7531
Similarity to MM185048
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8592 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+154 more
