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DocumentationIdentifier: MM227857
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227857 |
| SMILES |
C=CC(C)(O)CCC(C)O
|
| InChIKey |
VYCUSEGVVCVJCO-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM224717
Similarity: 0.8218
Similarity to MM224717
| Tanimoto metric | 0.8218 |
|---|---|
| Cosine metric | 0.9048 |
| Dice metric | 0.9022 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405208
Similarity: 0.8058
Similarity to MM405208
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8943 |
| Dice metric | 0.8925 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM399233
Similarity: 0.8058
Similarity to MM399233
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8943 |
| Dice metric | 0.8925 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+528 more
