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DocumentationIdentifier: MM68108
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68108 |
| SMILES |
C=CC(NCCC)C(=C)C
|
| InChIKey |
BTHHDFFOGIMKFO-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM65404
Similarity: 0.8763
Similarity to MM65404
| Tanimoto metric | 0.8763 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.9341 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56979
Similarity: 0.8476
Similarity to MM56979
| Tanimoto metric | 0.8476 |
|---|---|
| Cosine metric | 0.9175 |
| Dice metric | 0.9175 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66896
Similarity: 0.8208
Similarity to MM66896
| Tanimoto metric | 0.8208 |
|---|---|
| Cosine metric | 0.9016 |
| Dice metric | 0.9016 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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