Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM281358
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281358 |
| SMILES |
C=CC#CCC(=O)C#CC
|
| InChIKey |
DAFIFOJYIRBHOA-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169315
Similarity: 0.8947
Similarity to MM169315
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359269
Similarity: 0.8902
Similarity to MM359269
| Tanimoto metric | 0.8902 |
|---|---|
| Cosine metric | 0.9421 |
| Dice metric | 0.9419 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158618
Similarity: 0.8171
Similarity to MM158618
| Tanimoto metric | 0.8171 |
|---|---|
| Cosine metric | 0.8995 |
| Dice metric | 0.8993 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+459 more
