Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM380440
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380440 |
| SMILES |
CC#CC(C#CC=O)OC
|
| InChIKey |
IGKAUGSMPBWYTP-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM55472
Similarity: 0.9268
Similarity to MM55472
| Tanimoto metric | 0.9268 |
|---|---|
| Cosine metric | 0.9627 |
| Dice metric | 0.962 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380181
Similarity: 0.7835
Similarity to MM380181
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8798 |
| Dice metric | 0.8786 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380223
Similarity: 0.7451
Similarity to MM380223
| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8539 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
