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DocumentationIdentifier: MM196894
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196894 |
| SMILES |
CCC(CO)N(C)C=O
|
| InChIKey |
GZRYZUDMZUXBPT-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM94056
Similarity: 0.7623
Similarity to MM94056
| Tanimoto metric | 0.7623 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8651 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94055
Similarity: 0.7561
Similarity to MM94055
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160044
Similarity: 0.7217
Similarity to MM160044
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8399 |
| Dice metric | 0.8384 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+457 more
