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DocumentationIdentifier: MM94390
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94390 |
| SMILES |
C=C(C)C(N)CCCN
|
| InChIKey |
KUOKXLTXESKRBQ-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.63
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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MM94467
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| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM87520
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| Tanimoto metric | 0.8172 |
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| Cosine metric | 0.904 |
| Dice metric | 0.8994 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.02 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM88215
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Similarity to MM88215
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|---|---|
| Cosine metric | 0.904 |
| Dice metric | 0.8994 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+601 more
