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DocumentationIdentifier: MM125571
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM125571 |
| SMILES |
NCCCCNC=O
|
| InChIKey |
JAEJQOUXXMFTJU-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM317564
Similarity: 0.85
Similarity to MM317564
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 101.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64571
Similarity: 0.7692
Similarity to MM64571
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM308715
Similarity: 0.7447
Similarity to MM308715
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8537 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
