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DocumentationIdentifier: MM347811
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM347811 |
| SMILES |
CCCC(CC)CC(N)=O
|
| InChIKey |
CFUZKNGRUWYRTB-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM344389
Similarity: 0.9
Similarity to MM344389
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306183
Similarity: 0.8471
Similarity to MM306183
| Tanimoto metric | 0.8471 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.9172 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85914
Similarity: 0.8372
Similarity to MM85914
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.9115 |
| Dice metric | 0.9114 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+534 more
