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DocumentationIdentifier: MM97914
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97914 |
| SMILES |
CC(CN)NC=O
|
| InChIKey |
NIRULYFCGNKTIC-UHFFFAOYSA-N
|
| MW [Da] |
102.14
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103013
Similarity: 0.7358
Similarity to MM103013
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111590
Similarity: 0.6724
Similarity to MM111590
| Tanimoto metric | 0.6724 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.8041 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97323
Similarity: 0.6596
Similarity to MM97323
| Tanimoto metric | 0.6596 |
|---|---|
| Cosine metric | 0.7949 |
| Dice metric | 0.7949 |
| MW: | 102.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
