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DocumentationIdentifier: MM72462
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72462 |
| SMILES |
C=COCC(OC)C(C)N
|
| InChIKey |
NNSPARVSTAKTAX-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM72274
Similarity: 0.784
Similarity to MM72274
| Tanimoto metric | 0.784 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8789 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72245
Similarity: 0.744
Similarity to MM72245
| Tanimoto metric | 0.744 |
|---|---|
| Cosine metric | 0.8626 |
| Dice metric | 0.8532 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72459
Similarity: 0.6993
Similarity to MM72459
| Tanimoto metric | 0.6993 |
|---|---|
| Cosine metric | 0.8234 |
| Dice metric | 0.823 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
