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DocumentationIdentifier: MM77116
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77116 |
| SMILES |
CCC(C)(CO)OCCO
|
| InChIKey |
VXOCTNGGOADDKV-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61323
Similarity: 0.7373
Similarity to MM61323
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8488 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308289
Similarity: 0.7281
Similarity to MM308289
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8432 |
| Dice metric | 0.8426 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62950
Similarity: 0.7217
Similarity to MM62950
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8384 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+537 more
