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DocumentationIdentifier: MM303113
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303113 |
| SMILES |
CN=CNCC(F)C(C)C
|
| InChIKey |
YUFYNRPKIJNAON-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
1.23
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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MM162045
Similarity: 0.8511
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| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
| Dice metric | 0.9195 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM87348
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| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8217 |
| Dice metric | 0.8216 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.93 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM278627
Similarity: 0.6696
Similarity to MM278627
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8023 |
| Dice metric | 0.8021 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+408 more
