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DocumentationIdentifier: MM154822
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM154822 |
| SMILES |
CCNCCC=C(C)C
|
| InChIKey |
WTOAZKBLLDEPGV-UHFFFAOYSA-N
|
| MW [Da] |
127.23
Automatically obtained from RDkit software. |
| LogP |
1.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM290269
Similarity: 0.8644
Similarity to MM290269
| Tanimoto metric | 0.8644 |
|---|---|
| Cosine metric | 0.9297 |
| Dice metric | 0.9273 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236180
Similarity: 0.8644
Similarity to MM236180
| Tanimoto metric | 0.8644 |
|---|---|
| Cosine metric | 0.9297 |
| Dice metric | 0.9273 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95892
Similarity: 0.8431
Similarity to MM95892
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+741 more
