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DocumentationIdentifier: MM178210
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178210 |
| SMILES |
C=CC(C=CF)CCN
|
| InChIKey |
PAMUBFCPJGCNEH-UHFFFAOYSA-N
|
| MW [Da] |
129.18
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM303847
Similarity: 0.9437
Similarity to MM303847
| Tanimoto metric | 0.9437 |
|---|---|
| Cosine metric | 0.9714 |
| Dice metric | 0.971 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388808
Similarity: 0.8171
Similarity to MM388808
| Tanimoto metric | 0.8171 |
|---|---|
| Cosine metric | 0.9039 |
| Dice metric | 0.8993 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85947
Similarity: 0.791
Similarity to MM85947
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8833 |
| MW: | 117.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+547 more
