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DocumentationIdentifier: MM342285
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM342285 |
| SMILES |
CCC(=CF)CCC(=N)N
|
| InChIKey |
NIBJINXFCUAONY-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144801
Similarity: 0.7264
Similarity to MM144801
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8415 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342940
Similarity: 0.687
Similarity to MM342940
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.8145 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251034
Similarity: 0.6754
Similarity to MM251034
| Tanimoto metric | 0.6754 |
|---|---|
| Cosine metric | 0.8112 |
| Dice metric | 0.8063 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
