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DocumentationIdentifier: MM254472
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254472 |
| SMILES |
CC(O)CCC(N)C(C)C
|
| InChIKey |
XTAVYDMPLJBJTC-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143992
Similarity: 0.7701
Similarity to MM143992
| Tanimoto metric | 0.7701 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8701 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224638
Similarity: 0.7624
Similarity to MM224638
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8654 |
| Dice metric | 0.8652 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250470
Similarity: 0.7363
Similarity to MM250470
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8525 |
| Dice metric | 0.8481 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+454 more
