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DocumentationIdentifier: MM272013
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272013 |
| SMILES |
CC(C)CC(CN)OC=O
|
| InChIKey |
SGAKMXYLWVXPNO-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM64218
Similarity: 0.819
Similarity to MM64218
| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9005 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386283
Similarity: 0.7107
Similarity to MM386283
| Tanimoto metric | 0.7107 |
|---|---|
| Cosine metric | 0.831 |
| Dice metric | 0.8309 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261406
Similarity: 0.6694
Similarity to MM261406
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.802 |
| Dice metric | 0.8019 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+273 more
