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DocumentationIdentifier: MM46511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46511 |
| SMILES |
N=CNC(C=O)=CCC=O
|
| InChIKey |
JJIBSTRDQXBGJD-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386346
Similarity: 0.7111
Similarity to MM386346
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8312 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386412
Similarity: 0.7059
Similarity to MM386412
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8276 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360649
Similarity: 0.6772
Similarity to MM360649
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8086 |
| Dice metric | 0.8075 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
