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DocumentationIdentifier: MM208160
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM208160 |
| SMILES |
CC(C)NC(C#N)CO
|
| InChIKey |
YRKCIOSMAXNBAK-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM206200
Similarity: 0.9211
Similarity to MM206200
| Tanimoto metric | 0.9211 |
|---|---|
| Cosine metric | 0.9597 |
| Dice metric | 0.9589 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM208053
Similarity: 0.9091
Similarity to MM208053
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM48830
Similarity: 0.8714
Similarity to MM48830
| Tanimoto metric | 0.8714 |
|---|---|
| Cosine metric | 0.9335 |
| Dice metric | 0.9313 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+386 more
