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DocumentationIdentifier: MM360247
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360247 |
| SMILES |
CC(=CCCN)N(C)C=O
|
| InChIKey |
ONWWSZZANJRALD-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.33
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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MM175302
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| Tanimoto metric | 0.844 |
|---|---|
| Cosine metric | 0.9187 |
| Dice metric | 0.9154 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159561
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| Tanimoto metric | 0.7339 |
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| Cosine metric | 0.8567 |
| Dice metric | 0.8466 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM270335
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Similarity to MM270335
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8402 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+358 more
