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DocumentationIdentifier: MM349394
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349394 |
| SMILES |
C=COCC(N)C(=C)OC
|
| InChIKey |
BEIFFEIRKCJNRL-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54465
Similarity: 0.8559
Similarity to MM54465
| Tanimoto metric | 0.8559 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9224 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172414
Similarity: 0.8302
Similarity to MM172414
| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9111 |
| Dice metric | 0.9072 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173153
Similarity: 0.7203
Similarity to MM173153
| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8374 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+283 more
