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DocumentationIdentifier: MM446132
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM446132 |
| SMILES |
C#CC#CCC1C(C)N1C
|
| InChIKey |
GGUYPWNAPTZAHX-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM212641
Similarity: 0.8924
Similarity to MM212641
| Tanimoto metric | 0.8924 |
|---|---|
| Cosine metric | 0.9447 |
| Dice metric | 0.9431 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446015
Similarity: 0.8704
Similarity to MM446015
| Tanimoto metric | 0.8704 |
|---|---|
| Cosine metric | 0.9316 |
| Dice metric | 0.9307 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446019
Similarity: 0.8304
Similarity to MM446019
| Tanimoto metric | 0.8304 |
|---|---|
| Cosine metric | 0.9074 |
| Dice metric | 0.9073 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+155 more
