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DocumentationIdentifier: MM402889
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402889 |
| SMILES |
CCOCCC(C#N)NC
|
| InChIKey |
VUCCZJSEOYUXDI-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45136
Similarity: 0.8586
Similarity to MM45136
| Tanimoto metric | 0.8586 |
|---|---|
| Cosine metric | 0.9266 |
| Dice metric | 0.9239 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403331
Similarity: 0.7203
Similarity to MM403331
| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8374 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM44801
Similarity: 0.7143
Similarity to MM44801
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8333 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+260 more
