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DocumentationIdentifier: MM308822
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308822 |
| SMILES |
CCNC(C#N)CCC=O
|
| InChIKey |
ZCWKLAFILURXNW-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63420
Similarity: 0.7265
Similarity to MM63420
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8416 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272083
Similarity: 0.6991
Similarity to MM272083
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.8245 |
| Dice metric | 0.8229 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386945
Similarity: 0.693
Similarity to MM386945
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.8187 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+365 more
