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DocumentationIdentifier: MM305738
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305738 |
| SMILES |
CC(C=CCCO)N(C)C
|
| InChIKey |
ZMLZOTLOPZMZFV-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM74858
Similarity: 0.8072
Similarity to MM74858
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8933 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163146
Similarity: 0.7952
Similarity to MM163146
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8859 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91010
Similarity: 0.7097
Similarity to MM91010
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.831 |
| Dice metric | 0.8302 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+586 more
