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DocumentationIdentifier: MM362851
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362851 |
| SMILES |
NCCNCCC(N)CO
|
| InChIKey |
QDHWFJZUPNNVRY-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM362849
Similarity: 0.8718
Similarity to MM362849
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9323 |
| Dice metric | 0.9315 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315421
Similarity: 0.7158
Similarity to MM315421
| Tanimoto metric | 0.7158 |
|---|---|
| Cosine metric | 0.8363 |
| Dice metric | 0.8344 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112545
Similarity: 0.7105
Similarity to MM112545
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8308 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+597 more
