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DocumentationIdentifier: MM156085
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156085 |
| SMILES |
CCCCC(=O)CCO
|
| InChIKey |
QMXBCUFJHVABLO-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291722
Similarity: 0.9344
Similarity to MM291722
| Tanimoto metric | 0.9344 |
|---|---|
| Cosine metric | 0.9667 |
| Dice metric | 0.9661 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291721
Similarity: 0.9048
Similarity to MM291721
| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.9512 |
| Dice metric | 0.95 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107304
Similarity: 0.8421
Similarity to MM107304
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+416 more
