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DocumentationIdentifier: MM301701
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301701 |
| SMILES |
C=CCC1(C)NC1CC#N
|
| InChIKey |
DDLQUPDQYINKTN-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM176972
Similarity: 0.7461
Similarity to MM176972
| Tanimoto metric | 0.7461 |
|---|---|
| Cosine metric | 0.8638 |
| Dice metric | 0.8546 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM430901
Similarity: 0.6957
Similarity to MM430901
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8205 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302703
Similarity: 0.6234
Similarity to MM302703
| Tanimoto metric | 0.6234 |
|---|---|
| Cosine metric | 0.7683 |
| Dice metric | 0.768 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
