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DocumentationIdentifier: MM172885
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172885 |
| SMILES |
C=C(CCC)C(N)CC
|
| InChIKey |
GGRLZJHGFWGNMA-UHFFFAOYSA-N
|
| MW [Da] |
127.23
Automatically obtained from RDkit software. |
| LogP |
2.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172326
Similarity: 0.8625
Similarity to MM172326
| Tanimoto metric | 0.8625 |
|---|---|
| Cosine metric | 0.9262 |
| Dice metric | 0.9262 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350021
Similarity: 0.8605
Similarity to MM350021
| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111696
Similarity: 0.8243
Similarity to MM111696
| Tanimoto metric | 0.8243 |
|---|---|
| Cosine metric | 0.9079 |
| Dice metric | 0.9037 |
| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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