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DocumentationIdentifier: MM162179
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162179 |
| SMILES |
CC(NCCN)C(N)=O
|
| InChIKey |
ATQMJHBWRLYQNG-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-1.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144362
Similarity: 0.7711
Similarity to MM144362
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8707 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340678
Similarity: 0.7111
Similarity to MM340678
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8314 |
| Dice metric | 0.8312 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162178
Similarity: 0.7053
Similarity to MM162178
| Tanimoto metric | 0.7053 |
|---|---|
| Cosine metric | 0.8274 |
| Dice metric | 0.8272 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+128 more
