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DocumentationIdentifier: MM79680
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79680 |
| SMILES |
CNCCN(C)CCF
|
| InChIKey |
XRUWHHCJOZOBJG-UHFFFAOYSA-N
|
| MW [Da] |
134.2
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM57556
Similarity: 0.9333
Similarity to MM57556
| Tanimoto metric | 0.9333 |
|---|---|
| Cosine metric | 0.9661 |
| Dice metric | 0.9655 |
| MW: | 148.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57100
Similarity: 0.7586
Similarity to MM57100
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8669 |
| Dice metric | 0.8627 |
| MW: | 134.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177796
Similarity: 0.7419
Similarity to MM177796
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8519 |
| MW: | 134.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
