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DocumentationIdentifier: MM364953
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364953 |
| SMILES |
O=COCCCC(=O)CO
|
| InChIKey |
MBNDPHVAZBWGLH-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM364951
Similarity: 0.7191
Similarity to MM364951
| Tanimoto metric | 0.7191 |
|---|---|
| Cosine metric | 0.8368 |
| Dice metric | 0.8366 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91222
Similarity: 0.6882
Similarity to MM91222
| Tanimoto metric | 0.6882 |
|---|---|
| Cosine metric | 0.8153 |
| Dice metric | 0.8153 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83161
Similarity: 0.6392
Similarity to MM83161
| Tanimoto metric | 0.6392 |
|---|---|
| Cosine metric | 0.78 |
| Dice metric | 0.7799 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+253 more
