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DocumentationIdentifier: MM305801
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305801 |
| SMILES |
CC(N)C(O)C=COC=O
|
| InChIKey |
KAVGZHRPQBVMDB-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163131
Similarity: 0.8421
Similarity to MM163131
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305720
Similarity: 0.7578
Similarity to MM305720
| Tanimoto metric | 0.7578 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8622 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73339
Similarity: 0.7559
Similarity to MM73339
| Tanimoto metric | 0.7559 |
|---|---|
| Cosine metric | 0.8612 |
| Dice metric | 0.861 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+246 more
