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DocumentationIdentifier: MM370395
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370395 |
| SMILES |
C#CC#CCNC(C)CN
|
| InChIKey |
BNFZKRJIJDSDDN-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370234
Similarity: 0.7625
Similarity to MM370234
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8653 |
| Dice metric | 0.8652 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153450
Similarity: 0.7143
Similarity to MM153450
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240218
Similarity: 0.7011
Similarity to MM240218
| Tanimoto metric | 0.7011 |
|---|---|
| Cosine metric | 0.8255 |
| Dice metric | 0.8243 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
