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DocumentationIdentifier: MM44339
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44339 |
| SMILES |
CN(CC#N)C(C)(C)CO
|
| InChIKey |
KGXPZFWMDGXXAY-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
MM259812
Similarity: 0.7624
Similarity to MM259812
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8652 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52021
Similarity: 0.7
Similarity to MM52021
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8262 |
| Dice metric | 0.8235 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47508
Similarity: 0.6832
Similarity to MM47508
| Tanimoto metric | 0.6832 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8118 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+254 more
