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DocumentationIdentifier: MM74599
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM74599 |
| SMILES |
C=COCCC(N)C(C)O
|
| InChIKey |
VCAYTOYXMITCHY-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60357
Similarity: 0.6833
Similarity to MM60357
| Tanimoto metric | 0.6833 |
|---|---|
| Cosine metric | 0.812 |
| Dice metric | 0.8119 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165725
Similarity: 0.6768
Similarity to MM165725
| Tanimoto metric | 0.6768 |
|---|---|
| Cosine metric | 0.8227 |
| Dice metric | 0.8072 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301151
Similarity: 0.6723
Similarity to MM301151
| Tanimoto metric | 0.6723 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.804 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
