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DocumentationIdentifier: MM236469
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236469 |
| SMILES |
CCCNC(C)CC(C)O
|
| InChIKey |
HHQMNDXPZXLTPL-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135085
Similarity: 0.9318
Similarity to MM135085
| Tanimoto metric | 0.9318 |
|---|---|
| Cosine metric | 0.9653 |
| Dice metric | 0.9647 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223085
Similarity: 0.8936
Similarity to MM223085
| Tanimoto metric | 0.8936 |
|---|---|
| Cosine metric | 0.9439 |
| Dice metric | 0.9438 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM236522
Similarity: 0.7981
Similarity to MM236522
| Tanimoto metric | 0.7981 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8877 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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