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DocumentationIdentifier: MM46478
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46478 |
| SMILES |
CCCC(C#N)NCCO
|
| InChIKey |
ZDUBGVSNFRNNDY-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46863
Similarity: 0.7822
Similarity to MM46863
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8778 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42049
Similarity: 0.7265
Similarity to MM42049
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8416 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272083
Similarity: 0.7207
Similarity to MM272083
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8377 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
