Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM251377
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251377 |
| SMILES |
C#CCC(=C)COC(C)=O
|
| InChIKey |
ILBCMMVSGLNBTC-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144898
Similarity: 0.7876
Similarity to MM144898
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8875 |
| Dice metric | 0.8812 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156662
Similarity: 0.7345
Similarity to MM156662
| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.8469 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319823
Similarity: 0.6985
Similarity to MM319823
| Tanimoto metric | 0.6985 |
|---|---|
| Cosine metric | 0.8227 |
| Dice metric | 0.8225 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+216 more
