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DocumentationIdentifier: MM435243
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM435243 |
| SMILES |
CC(C#N)C1CN1CC#N
|
| InChIKey |
FFHGTCDZPZKSTK-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210722
Similarity: 0.8916
Similarity to MM210722
| Tanimoto metric | 0.8916 |
|---|---|
| Cosine metric | 0.9442 |
| Dice metric | 0.9427 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM434845
Similarity: 0.8315
Similarity to MM434845
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.908 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM426282
Similarity: 0.8268
Similarity to MM426282
| Tanimoto metric | 0.8268 |
|---|---|
| Cosine metric | 0.9053 |
| Dice metric | 0.9052 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
