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DocumentationIdentifier: MM221822
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221822 |
| SMILES |
CC(C)(CC=O)CC(=N)N
|
| InChIKey |
FGHBFPVRCAGVPX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM272307
Similarity: 0.7429
Similarity to MM272307
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8525 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130722
Similarity: 0.732
Similarity to MM130722
| Tanimoto metric | 0.732 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8452 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229224
Similarity: 0.6762
Similarity to MM229224
| Tanimoto metric | 0.6762 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.8068 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
