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DocumentationIdentifier: MM44627
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44627 |
| SMILES |
CCC(C#N)N(C)CCO
|
| InChIKey |
BNAZXMXLKMINTG-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
MM45262
Similarity: 0.7059
Similarity to MM45262
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8276 |
| Dice metric | 0.8276 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46863
Similarity: 0.681
Similarity to MM46863
| Tanimoto metric | 0.681 |
|---|---|
| Cosine metric | 0.8252 |
| Dice metric | 0.8103 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48256
Similarity: 0.6724
Similarity to MM48256
| Tanimoto metric | 0.6724 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.8041 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
