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DocumentationIdentifier: MM363803
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363803 |
| SMILES |
C=C(CCC)CCC(C)O
|
| InChIKey |
QVWODBNQXMWNLJ-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM363617
Similarity: 0.9437
Similarity to MM363617
| Tanimoto metric | 0.9437 |
|---|---|
| Cosine metric | 0.9714 |
| Dice metric | 0.971 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404219
Similarity: 0.8313
Similarity to MM404219
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9079 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363812
Similarity: 0.7976
Similarity to MM363812
| Tanimoto metric | 0.7976 |
|---|---|
| Cosine metric | 0.889 |
| Dice metric | 0.8874 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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