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DocumentationIdentifier: MM51489
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51489 |
| SMILES |
C=C(OCCO)C(C)NC
|
| InChIKey |
AHMAJXVLOVHLRD-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
MM173002
Similarity: 0.8361
Similarity to MM173002
| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9107 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60777
Similarity: 0.6557
Similarity to MM60777
| Tanimoto metric | 0.6557 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.7921 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242210
Similarity: 0.6519
Similarity to MM242210
| Tanimoto metric | 0.6519 |
|---|---|
| Cosine metric | 0.791 |
| Dice metric | 0.7893 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
