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DocumentationIdentifier: MM331020
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM331020 |
| SMILES |
CC=C(C)CN(CC)CC
|
| InChIKey |
KVSBDGIHGLOIOT-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.29
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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MM142950
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| Tanimoto metric | 0.9268 |
|---|---|
| Cosine metric | 0.9627 |
| Dice metric | 0.962 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM264974
Similarity: 0.8085
Similarity to MM264974
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8947 |
| Dice metric | 0.8941 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM248372
Similarity: 0.8
Similarity to MM248372
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8889 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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