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DocumentationIdentifier: MM168627
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168627 |
| SMILES |
C=CC=CCC(=N)NC
|
| InChIKey |
SVVFFXLXLBVMGH-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM374662
Similarity: 0.837
Similarity to MM374662
| Tanimoto metric | 0.837 |
|---|---|
| Cosine metric | 0.9149 |
| Dice metric | 0.9112 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113606
Similarity: 0.8182
Similarity to MM113606
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280422
Similarity: 0.8021
Similarity to MM280422
| Tanimoto metric | 0.8021 |
|---|---|
| Cosine metric | 0.8956 |
| Dice metric | 0.8902 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
