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DocumentationIdentifier: MM365992
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365992 |
| SMILES |
C#CC(=O)NCCCCN
|
| InChIKey |
OSLBOLYGPVNWET-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM365990
Similarity: 0.837
Similarity to MM365990
| Tanimoto metric | 0.837 |
|---|---|
| Cosine metric | 0.9114 |
| Dice metric | 0.9112 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91390
Similarity: 0.828
Similarity to MM91390
| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9059 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366120
Similarity: 0.8172
Similarity to MM366120
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.8996 |
| Dice metric | 0.8994 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+561 more
