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DocumentationIdentifier: MM87439
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87439 |
| SMILES |
CNCCCC(C)OC=O
|
| InChIKey |
BAMPONBDRKCNHE-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386281
Similarity: 0.7048
Similarity to MM386281
| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8268 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250551
Similarity: 0.6607
Similarity to MM250551
| Tanimoto metric | 0.6607 |
|---|---|
| Cosine metric | 0.7964 |
| Dice metric | 0.7957 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261406
Similarity: 0.6325
Similarity to MM261406
| Tanimoto metric | 0.6325 |
|---|---|
| Cosine metric | 0.7767 |
| Dice metric | 0.7749 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+372 more
