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DocumentationIdentifier: MM233076
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233076 |
| SMILES |
CCCC(C)(O)C(C)CO
|
| InChIKey |
VRVIBKGZLDKSSA-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137472
Similarity: 0.7745
Similarity to MM137472
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.8729 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222036
Similarity: 0.686
Similarity to MM222036
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.8137 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234536
Similarity: 0.681
Similarity to MM234536
| Tanimoto metric | 0.681 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.8103 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+378 more
