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DocumentationIdentifier: MM329077
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329077 |
| SMILES |
C#CC(=N)NC(CC)CF
|
| InChIKey |
ZLFNBUVMGWTSKE-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149927
Similarity: 0.754
Similarity to MM149927
| Tanimoto metric | 0.754 |
|---|---|
| Cosine metric | 0.8683 |
| Dice metric | 0.8597 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71587
Similarity: 0.7222
Similarity to MM71587
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142189
Similarity: 0.6984
Similarity to MM142189
| Tanimoto metric | 0.6984 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8224 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+203 more
