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DocumentationIdentifier: MM226196
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226196 |
| SMILES |
C=CC(C)NC(C)(C)CO
|
| InChIKey |
VFZBDESKQRNUEP-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM46199
Similarity: 0.7021
Similarity to MM46199
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8273 |
| Dice metric | 0.825 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240073
Similarity: 0.701
Similarity to MM240073
| Tanimoto metric | 0.701 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.8242 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130636
Similarity: 0.6977
Similarity to MM130636
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8219 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+553 more
