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DocumentationIdentifier: MM222495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222495 |
| SMILES |
CC(C)C(O)CC(C)(C)O
|
| InChIKey |
JANSZBDMCKVQEK-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
1.16
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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MM129975
Similarity: 0.8095
Similarity to MM129975
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133486
Similarity: 0.7619
Similarity to MM133486
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.77 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM221080
Similarity: 0.7263
Similarity to MM221080
| Tanimoto metric | 0.7263 |
|---|---|
| Cosine metric | 0.8417 |
| Dice metric | 0.8415 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+540 more
