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DocumentationIdentifier: MM144072
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144072 |
| SMILES |
CCC(C)NCC(C)O
|
| InChIKey |
XTYWGSDRLPZAQF-UHFFFAOYSA-N
|
| MW [Da] |
131.22
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM250509
Similarity: 0.8375
Similarity to MM250509
| Tanimoto metric | 0.8375 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315344
Similarity: 0.8072
Similarity to MM315344
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8933 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM315350
Similarity: 0.8072
Similarity to MM315350
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8933 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+697 more
