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DocumentationIdentifier: MM225778
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225778 |
| SMILES |
C=C(C)C(=O)C(C)(C)CC
|
| InChIKey |
MKJYNUZMXDPZRE-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160992
Similarity: 0.7705
Similarity to MM160992
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM129917
Similarity: 0.6803
Similarity to MM129917
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.8248 |
| Dice metric | 0.8098 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233432
Similarity: 0.6642
Similarity to MM233432
| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.8002 |
| Dice metric | 0.7982 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+325 more
