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DocumentationIdentifier: MM301215
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301215 |
| SMILES |
C=CCOCC(C)C(C)O
|
| InChIKey |
KZXGIRSYTBEUSR-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161979
Similarity: 0.809
Similarity to MM161979
| Tanimoto metric | 0.809 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8944 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402555
Similarity: 0.7935
Similarity to MM402555
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8848 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301005
Similarity: 0.766
Similarity to MM301005
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8697 |
| Dice metric | 0.8675 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+504 more
