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DocumentationIdentifier: MM355369
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355369 |
| SMILES |
CCCNC(C)CCCN
|
| InChIKey |
BTGVSILVDOTEFT-UHFFFAOYSA-N
|
| MW [Da] |
144.26
Automatically obtained from RDkit software. |
| LogP |
1.11
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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MM155686
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| Tanimoto metric | 0.9365 |
|---|---|
| Cosine metric | 0.9677 |
| Dice metric | 0.9672 |
| MW: | 130.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM236474
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Similarity to MM236474
| Tanimoto metric | 0.8971 |
|---|---|
| Cosine metric | 0.946 |
| Dice metric | 0.9457 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291180
Similarity: 0.8551
Similarity to MM291180
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9219 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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