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DocumentationIdentifier: MM306755
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306755 |
| SMILES |
C=CC(C)C(C)CNC=O
|
| InChIKey |
TVNQHWOLTBEIIE-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM316995
Similarity: 0.7816
Similarity to MM316995
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8774 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318613
Similarity: 0.7647
Similarity to MM318613
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8667 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317649
Similarity: 0.7356
Similarity to MM317649
| Tanimoto metric | 0.7356 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8477 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+405 more
