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DocumentationIdentifier: MM309033
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309033 |
| SMILES |
C#CC(C)(CF)NCCN
|
| InChIKey |
WWRKYSWLHPABPN-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
-0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM309035
Similarity: 0.7603
Similarity to MM309035
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8638 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM425690
Similarity: 0.697
Similarity to MM425690
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.8214 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67561
Similarity: 0.6091
Similarity to MM67561
| Tanimoto metric | 0.6091 |
|---|---|
| Cosine metric | 0.7804 |
| Dice metric | 0.7571 |
| MW: | 134.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+216 more
