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DocumentationIdentifier: MM315421
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM315421 |
| SMILES |
CCN(C)CCC(N)CO
|
| InChIKey |
KFJOXXWLXJHLHX-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144092
Similarity: 0.7701
Similarity to MM144092
| Tanimoto metric | 0.7701 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8701 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362849
Similarity: 0.7253
Similarity to MM362849
| Tanimoto metric | 0.7253 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.8408 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90943
Similarity: 0.7241
Similarity to MM90943
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 130.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+294 more
