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DocumentationIdentifier: MM403043
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403043 |
| SMILES |
CCCCNC(C#N)CC
|
| InChIKey |
YCUXVAMULDVQLM-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198843
Similarity: 0.8734
Similarity to MM198843
| Tanimoto metric | 0.8734 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9324 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403515
Similarity: 0.8161
Similarity to MM403515
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8987 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326761
Similarity: 0.8023
Similarity to MM326761
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8905 |
| Dice metric | 0.8903 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+486 more
