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DocumentationIdentifier: MM361714
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361714 |
| SMILES |
CC(CCCN)C(N)CO
|
| InChIKey |
UNQUUJKKMNBIGV-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171731
Similarity: 0.8511
Similarity to MM171731
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
| Dice metric | 0.9195 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268239
Similarity: 0.7736
Similarity to MM268239
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8723 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361716
Similarity: 0.7692
Similarity to MM361716
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8698 |
| Dice metric | 0.8696 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+518 more
