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DocumentationIdentifier: MM246242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246242 |
| SMILES |
C=C(CC(=O)CC)C(C)O
|
| InChIKey |
LMWDFSGWGGNOSF-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40835
Similarity: 0.8095
Similarity to MM40835
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65003
Similarity: 0.6917
Similarity to MM65003
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8237 |
| Dice metric | 0.8178 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269272
Similarity: 0.6883
Similarity to MM269272
| Tanimoto metric | 0.6883 |
|---|---|
| Cosine metric | 0.8158 |
| Dice metric | 0.8154 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
