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DocumentationIdentifier: MM240255
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240255 |
| SMILES |
CC(C)(CO)CC=CCO
|
| InChIKey |
ZECDBWHBGGWLOL-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM381529
Similarity: 0.8732
Similarity to MM381529
| Tanimoto metric | 0.8732 |
|---|---|
| Cosine metric | 0.9345 |
| Dice metric | 0.9323 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381766
Similarity: 0.8052
Similarity to MM381766
| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8923 |
| Dice metric | 0.8921 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381782
Similarity: 0.7654
Similarity to MM381782
| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8671 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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