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DocumentationIdentifier: MM28010
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28010 |
| SMILES |
CCCNC(C=O)CC#N
|
| InChIKey |
TZHFHSLXOLMUIY-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
MM60059
Similarity: 0.8558
Similarity to MM60059
| Tanimoto metric | 0.8558 |
|---|---|
| Cosine metric | 0.9223 |
| Dice metric | 0.9223 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46509
Similarity: 0.7265
Similarity to MM46509
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8422 |
| Dice metric | 0.8416 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396760
Similarity: 0.7203
Similarity to MM396760
| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8374 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+114 more
