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DocumentationIdentifier: MM59157
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59157 |
| SMILES |
C=COCC(C)NCCO
|
| InChIKey |
PXZWDYXMSRJYDQ-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM236535
Similarity: 0.8571
Similarity to MM236535
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9231 |
| Dice metric | 0.9231 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363411
Similarity: 0.8125
Similarity to MM363411
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8991 |
| Dice metric | 0.8966 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57980
Similarity: 0.7949
Similarity to MM57980
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+381 more
