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DocumentationIdentifier: MM447592
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447592 |
| SMILES |
CN=CNCCOCCN
|
| InChIKey |
NLSAHIIHAPBMKH-UHFFFAOYSA-N
|
| MW [Da] |
145.21
Automatically obtained from RDkit software. |
| LogP |
-0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM212997
Similarity: 0.8197
Similarity to MM212997
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.9009 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89092
Similarity: 0.76
Similarity to MM89092
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8661 |
| Dice metric | 0.8636 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213597
Similarity: 0.7101
Similarity to MM213597
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.831 |
| Dice metric | 0.8305 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
