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DocumentationIdentifier: MM346923
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM346923 |
| SMILES |
CCC(=CCC(C)=O)OC
|
| InChIKey |
WTGOBTOVOCLWSN-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201609
Similarity: 0.7593
Similarity to MM201609
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325005
Similarity: 0.6984
Similarity to MM325005
| Tanimoto metric | 0.6984 |
|---|---|
| Cosine metric | 0.8225 |
| Dice metric | 0.8224 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253573
Similarity: 0.688
Similarity to MM253573
| Tanimoto metric | 0.688 |
|---|---|
| Cosine metric | 0.8154 |
| Dice metric | 0.8152 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
