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DocumentationIdentifier: MM23650
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23650 |
| SMILES |
C#CCC(C#N)N(C)C=O
|
| InChIKey |
CSZYWMXWLHHMSG-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24003
Similarity: 0.746
Similarity to MM24003
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8545 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51326
Similarity: 0.7222
Similarity to MM51326
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23642
Similarity: 0.6419
Similarity to MM23642
| Tanimoto metric | 0.6419 |
|---|---|
| Cosine metric | 0.7824 |
| Dice metric | 0.7819 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
