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DocumentationIdentifier: MM325920
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325920 |
| SMILES |
CCC(C)NC(CC)CC
|
| InChIKey |
NEFQCQRAFGLISO-UHFFFAOYSA-N
|
| MW [Da] |
143.27
Automatically obtained from RDkit software. |
| LogP |
2.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198563
Similarity: 0.94
Similarity to MM198563
| Tanimoto metric | 0.94 |
|---|---|
| Cosine metric | 0.9695 |
| Dice metric | 0.9691 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149700
Similarity: 0.92
Similarity to MM149700
| Tanimoto metric | 0.92 |
|---|---|
| Cosine metric | 0.9592 |
| Dice metric | 0.9583 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141586
Similarity: 0.84
Similarity to MM141586
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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