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DocumentationIdentifier: MM268364
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268364 |
| SMILES |
C=CC(N)C(O)CC(C)C
|
| InChIKey |
IYFNREGDGUBEFD-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348503
Similarity: 0.75
Similarity to MM348503
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8571 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133488
Similarity: 0.6864
Similarity to MM133488
| Tanimoto metric | 0.6864 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8141 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268567
Similarity: 0.6424
Similarity to MM268567
| Tanimoto metric | 0.6424 |
|---|---|
| Cosine metric | 0.7832 |
| Dice metric | 0.7823 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+374 more
