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DocumentationIdentifier: MM294966
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294966 |
| SMILES |
C#CCCN=C(C)N(C)C
|
| InChIKey |
MMWXZFDLELNDBG-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163799
Similarity: 0.8125
Similarity to MM163799
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294848
Similarity: 0.7383
Similarity to MM294848
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8499 |
| Dice metric | 0.8495 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294850
Similarity: 0.6842
Similarity to MM294850
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8125 |
| Dice metric | 0.8125 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+164 more
