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DocumentationIdentifier: MM40678
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40678 |
| SMILES |
CC(C#N)N(C)CCF
|
| InChIKey |
HTKVOVSQEVHRCH-UHFFFAOYSA-N
|
| MW [Da] |
130.17
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45519
Similarity: 0.6923
Similarity to MM45519
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406882
Similarity: 0.6789
Similarity to MM406882
| Tanimoto metric | 0.6789 |
|---|---|
| Cosine metric | 0.8177 |
| Dice metric | 0.8087 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107236
Similarity: 0.641
Similarity to MM107236
| Tanimoto metric | 0.641 |
|---|---|
| Cosine metric | 0.8006 |
| Dice metric | 0.7813 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+380 more
