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DocumentationIdentifier: MM250639
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250639 |
| SMILES |
CC(=O)NCC(C)CCN
|
| InChIKey |
CNIOFGRSRFWOKN-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM309205
Similarity: 0.8391
Similarity to MM309205
| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.916 |
| Dice metric | 0.9125 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM257786
Similarity: 0.7957
Similarity to MM257786
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.887 |
| Dice metric | 0.8862 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM310920
Similarity: 0.7684
Similarity to MM310920
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8696 |
| Dice metric | 0.869 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+529 more
