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DocumentationIdentifier: MM252122
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252122 |
| SMILES |
C=C(F)C=CC(C)CCN
|
| InChIKey |
NNKPXPRPIXCUKQ-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM145528
Similarity: 0.7957
Similarity to MM145528
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM258967
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| Tanimoto metric | 0.7115 |
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| Cosine metric | 0.8323 |
| Dice metric | 0.8315 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM154117
Similarity: 0.7097
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| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8302 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+518 more
