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DocumentationIdentifier: MM135235
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135235 |
| SMILES |
CCCC(C)OC(C)=O
|
| InChIKey |
GQKZRWSUJHVIPE-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
1.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261962
Similarity: 0.7593
Similarity to MM261962
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104320
Similarity: 0.7561
Similarity to MM104320
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261964
Similarity: 0.7387
Similarity to MM261964
| Tanimoto metric | 0.7387 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8497 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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