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DocumentationIdentifier: MM239269
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239269 |
| SMILES |
CCCNCC(C)(C)CO
|
| InChIKey |
XONGUWTXSDEELT-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138141
Similarity: 0.9242
Similarity to MM138141
| Tanimoto metric | 0.9242 |
|---|---|
| Cosine metric | 0.9614 |
| Dice metric | 0.9606 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239270
Similarity: 0.8026
Similarity to MM239270
| Tanimoto metric | 0.8026 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8905 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227783
Similarity: 0.7922
Similarity to MM227783
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8841 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
