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DocumentationIdentifier: MM144223
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144223 |
| SMILES |
CCC(C)CCC(=N)N
|
| InChIKey |
ZTYMLVSUXGDTSK-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM340391
Similarity: 0.9429
Similarity to MM340391
| Tanimoto metric | 0.9429 |
|---|---|
| Cosine metric | 0.971 |
| Dice metric | 0.9706 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250604
Similarity: 0.9041
Similarity to MM250604
| Tanimoto metric | 0.9041 |
|---|---|
| Cosine metric | 0.9508 |
| Dice metric | 0.9496 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254543
Similarity: 0.8571
Similarity to MM254543
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
