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DocumentationIdentifier: MM296645
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296645 |
| SMILES |
C#CCCCC(C)NC=O
|
| InChIKey |
QHXNVLKSLGSIIT-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM316405
Similarity: 0.7901
Similarity to MM316405
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8828 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304952
Similarity: 0.6923
Similarity to MM304952
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8182 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298021
Similarity: 0.6914
Similarity to MM298021
| Tanimoto metric | 0.6914 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8175 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+418 more
