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DocumentationIdentifier: MM59989
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59989 |
| SMILES |
C=CCNC(C)C(O)C=C
|
| InChIKey |
RZOYQAVHMBDYFC-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81193
Similarity: 0.8673
Similarity to MM81193
| Tanimoto metric | 0.8673 |
|---|---|
| Cosine metric | 0.9313 |
| Dice metric | 0.9289 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48114
Similarity: 0.7388
Similarity to MM48114
| Tanimoto metric | 0.7388 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8498 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46614
Similarity: 0.7313
Similarity to MM46614
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.8451 |
| Dice metric | 0.8448 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
