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DocumentationIdentifier: MM262155
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262155 |
| SMILES |
C#CCC(O)CC(=O)OC
|
| InChIKey |
HYKUJYAPINIGBU-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41053
Similarity: 0.735
Similarity to MM41053
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8473 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260310
Similarity: 0.6809
Similarity to MM260310
| Tanimoto metric | 0.6809 |
|---|---|
| Cosine metric | 0.8102 |
| Dice metric | 0.8101 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244973
Similarity: 0.6643
Similarity to MM244973
| Tanimoto metric | 0.6643 |
|---|---|
| Cosine metric | 0.7983 |
| Dice metric | 0.7983 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
