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DocumentationIdentifier: MM81770
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81770 |
| SMILES |
C=C(CN)C(=C)CNCC
|
| InChIKey |
XGTIVDUOYISATD-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76455
Similarity: 0.8737
Similarity to MM76455
| Tanimoto metric | 0.8737 |
|---|---|
| Cosine metric | 0.9347 |
| Dice metric | 0.9326 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80324
Similarity: 0.8384
Similarity to MM80324
| Tanimoto metric | 0.8384 |
|---|---|
| Cosine metric | 0.913 |
| Dice metric | 0.9121 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302877
Similarity: 0.8058
Similarity to MM302877
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.8925 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+367 more
