Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM61160
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61160 |
| SMILES |
C#CCC(=O)C(C)(O)C=O
|
| InChIKey |
GVICKHJMPRFHEG-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41681
Similarity: 0.7554
Similarity to MM41681
| Tanimoto metric | 0.7554 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8607 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40318
Similarity: 0.705
Similarity to MM40318
| Tanimoto metric | 0.705 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.827 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173505
Similarity: 0.6547
Similarity to MM173505
| Tanimoto metric | 0.6547 |
|---|---|
| Cosine metric | 0.8091 |
| Dice metric | 0.7913 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
