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DocumentationIdentifier: MM137562
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137562 |
| SMILES |
CCC(C)(C)N(C)C=O
|
| InChIKey |
GCFIBYAEVBGKOX-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111588
Similarity: 0.7342
Similarity to MM111588
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8467 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352881
Similarity: 0.7248
Similarity to MM352881
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8404 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319732
Similarity: 0.6529
Similarity to MM319732
| Tanimoto metric | 0.6529 |
|---|---|
| Cosine metric | 0.808 |
| Dice metric | 0.79 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+441 more
