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DocumentationIdentifier: MM223708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223708 |
| SMILES |
CC(C#N)C(C)C(C)(C)O
|
| InChIKey |
JMYMTOBIPMZBEC-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM225501
Similarity: 0.7787
Similarity to MM225501
| Tanimoto metric | 0.7787 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8756 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132032
Similarity: 0.7619
Similarity to MM132032
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82295
Similarity: 0.6967
Similarity to MM82295
| Tanimoto metric | 0.6967 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.8213 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+256 more
