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DocumentationIdentifier: MM374413
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374413 |
| SMILES |
CC=CC=CCC(C)CN
|
| InChIKey |
GOASPVIZJLCLDV-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168138
Similarity: 0.9063
Similarity to MM168138
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85377
Similarity: 0.8056
Similarity to MM85377
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8923 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374415
Similarity: 0.7763
Similarity to MM374415
| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8741 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+571 more
