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DocumentationIdentifier: MM44863
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44863 |
| SMILES |
CCN(CC#N)CC(C)O
|
| InChIKey |
FLMNIFQLICLKKB-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM266873
Similarity: 0.9091
Similarity to MM266873
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44861
Similarity: 0.7207
Similarity to MM44861
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.8403 |
| Dice metric | 0.8377 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44003
Similarity: 0.7143
Similarity to MM44003
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.8333 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+469 more
