Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM253229
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253229 |
| SMILES |
COCC(=O)CC=C(C)C
|
| InChIKey |
FJCQCBKOGATXFW-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM356736
Similarity: 0.729
Similarity to MM356736
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8432 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
1-methoxypent-4-en-2-one
Similarity: 0.6739
Similarity to 1-methoxypent-4-en-2-one
| Tanimoto metric | 0.6739 |
|---|---|
| Cosine metric | 0.8209 |
| Dice metric | 0.8052 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325259
Similarity: 0.6518
Similarity to MM325259
| Tanimoto metric | 0.6518 |
|---|---|
| Cosine metric | 0.7892 |
| Dice metric | 0.7892 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
