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DocumentationIdentifier: MM227041
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227041 |
| SMILES |
C=CC(C)(C)OC(=O)CO
|
| InChIKey |
JZZRNYPLMDDVAT-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142291
Similarity: 0.8073
Similarity to MM142291
| Tanimoto metric | 0.8073 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8934 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130861
Similarity: 0.789
Similarity to MM130861
| Tanimoto metric | 0.789 |
|---|---|
| Cosine metric | 0.8883 |
| Dice metric | 0.8821 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227105
Similarity: 0.6825
Similarity to MM227105
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8116 |
| Dice metric | 0.8113 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
