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DocumentationIdentifier: MM396760
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM396760 |
| SMILES |
C#CCNC(C=O)CC#N
|
| InChIKey |
JRCFJWRZFFGUHU-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.31
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: 0.7265
Similarity to MM60059
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8426 |
| Dice metric | 0.8416 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28010
Similarity: 0.7203
Similarity to MM28010
| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8374 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46509
Similarity: 0.6746
Similarity to MM46509
| Tanimoto metric | 0.6746 |
|---|---|
| Cosine metric | 0.8057 |
| Dice metric | 0.8057 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
