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DocumentationIdentifier: MM262517
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262517 |
| SMILES |
C=CCC(=O)CC(O)CF
|
| InChIKey |
IOEAQTSUJBZVTN-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41097
Similarity: 0.713
Similarity to MM41097
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8325 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64828
Similarity: 0.7008
Similarity to MM64828
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8258 |
| Dice metric | 0.8241 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57453
Similarity: 0.6621
Similarity to MM57453
| Tanimoto metric | 0.6621 |
|---|---|
| Cosine metric | 0.7975 |
| Dice metric | 0.7967 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
