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DocumentationIdentifier: MM404614
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404614 |
| SMILES |
CNC(CN)CCC=CF
|
| InChIKey |
SKNZECIRQJTFLS-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198638
Similarity: 0.7849
Similarity to MM198638
| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8795 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167140
Similarity: 0.7527
Similarity to MM167140
| Tanimoto metric | 0.7527 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.8589 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90417
Similarity: 0.7282
Similarity to MM90417
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8427 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+544 more
