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DocumentationIdentifier: MM362994
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362994 |
| SMILES |
CCCCC=CC(C)NC
|
| InChIKey |
LJYQNAGAWUJPEH-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169423
Similarity: 0.8841
Similarity to MM169423
| Tanimoto metric | 0.8841 |
|---|---|
| Cosine metric | 0.9402 |
| Dice metric | 0.9385 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362996
Similarity: 0.8182
Similarity to MM362996
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.9 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363250
Similarity: 0.7922
Similarity to MM363250
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8841 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+854 more
