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DocumentationIdentifier: MM281425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281425 |
| SMILES |
CN(C=NCCO)CCO
|
| InChIKey |
GRCXFLQGSQACLY-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM96129
Similarity: 0.8611
Similarity to MM96129
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281424
Similarity: 0.7952
Similarity to MM281424
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.8859 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM423136
Similarity: 0.775
Similarity to MM423136
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8732 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
