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DocumentationIdentifier: MM402669
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402669 |
| SMILES |
CCN(CC)CCCC=O
|
| InChIKey |
KLJFHXUKUPKVEF-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.9355 |
|---|---|
| Cosine metric | 0.9672 |
| Dice metric | 0.9667 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.9509 |
| Dice metric | 0.9508 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM301293
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Similarity to MM301293
| Tanimoto metric | 0.7532 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8593 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
