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DocumentationIdentifier: MM379011
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379011 |
| SMILES |
CC=C(C=CCO)CNC
|
| InChIKey |
MAWBSTCBGCWQFN-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178670
Similarity: 0.7714
Similarity to MM178670
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200895
Similarity: 0.7524
Similarity to MM200895
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.8587 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72465
Similarity: 0.7524
Similarity to MM72465
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.8587 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+553 more
