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DocumentationIdentifier: MM96107
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM96107 |
| SMILES |
CCC(CN)C(CN)CF
|
| InChIKey |
OEADXQHRIKLDBT-UHFFFAOYSA-N
|
| MW [Da] |
148.23
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196777
Similarity: 0.8202
Similarity to MM196777
| Tanimoto metric | 0.8202 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.9012 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375593
Similarity: 0.8144
Similarity to MM375593
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8977 |
| MW: | 148.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400490
Similarity: 0.7624
Similarity to MM400490
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8652 |
| Dice metric | 0.8652 |
| MW: | 151.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+522 more
