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DocumentationIdentifier: MM441195
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM441195 |
| SMILES |
CC#CC1CN1CCCC
|
| InChIKey |
LQDBNKACSWWNSW-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194938
Similarity: 0.8849
Similarity to MM194938
| Tanimoto metric | 0.8849 |
|---|---|
| Cosine metric | 0.9407 |
| Dice metric | 0.9389 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441900
Similarity: 0.8146
Similarity to MM441900
| Tanimoto metric | 0.8146 |
|---|---|
| Cosine metric | 0.8979 |
| Dice metric | 0.8978 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216860
Similarity: 0.7914
Similarity to MM216860
| Tanimoto metric | 0.7914 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8835 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
