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DocumentationIdentifier: MM244892
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244892 |
| SMILES |
CC(O)C(C)CC(=O)CO
|
| InChIKey |
JBKUQWGOILNNKV-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM328407
Similarity: 0.7672
Similarity to MM328407
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8683 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244891
Similarity: 0.7561
Similarity to MM244891
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8613 |
| Dice metric | 0.8611 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268438
Similarity: 0.6822
Similarity to MM268438
| Tanimoto metric | 0.6822 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.8111 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+278 more
