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DocumentationIdentifier: MM420783
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420783 |
| SMILES |
CCC(C)CC(O)CC
|
| InChIKey |
SECKOSOTZOBWEI-UHFFFAOYSA-N
|
| MW [Da] |
130.23
Automatically obtained from RDkit software. |
| LogP |
2.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM430851
Similarity: 0.9355
Similarity to MM430851
| Tanimoto metric | 0.9355 |
|---|---|
| Cosine metric | 0.9672 |
| Dice metric | 0.9667 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM416103
Similarity: 0.9063
Similarity to MM416103
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM421292
Similarity: 0.8788
Similarity to MM421292
| Tanimoto metric | 0.8788 |
|---|---|
| Cosine metric | 0.9374 |
| Dice metric | 0.9355 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+622 more
