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DocumentationIdentifier: MM181051
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM181051 |
| SMILES |
C=C(C)N(C=O)C(C)C
|
| InChIKey |
VJARSDIUXRAOCQ-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM38697
Similarity: 0.7204
Similarity to MM38697
| Tanimoto metric | 0.7204 |
|---|---|
| Cosine metric | 0.8488 |
| Dice metric | 0.8375 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76565
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| Tanimoto metric | 0.7154 |
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| Cosine metric | 0.8458 |
| Dice metric | 0.8341 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM389323
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Similarity to MM389323
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8341 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
