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DocumentationIdentifier: MM278741
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM278741 |
| SMILES |
CC=COCC(=N)NCC
|
| InChIKey |
JFCMDDNFIDGMDC-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM86629
Similarity: 0.783
Similarity to MM86629
| Tanimoto metric | 0.783 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8783 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368965
Similarity: 0.7547
Similarity to MM368965
| Tanimoto metric | 0.7547 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8602 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368963
Similarity: 0.7407
Similarity to MM368963
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8511 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
