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DocumentationIdentifier: MM394484
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM394484 |
| SMILES |
C=COCC(=CF)C(C)N
|
| InChIKey |
ZTOSEQFBFAUAPI-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162499
Similarity: 0.7059
Similarity to MM162499
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68661
Similarity: 0.6544
Similarity to MM68661
| Tanimoto metric | 0.6544 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.7911 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303439
Similarity: 0.6316
Similarity to MM303439
| Tanimoto metric | 0.6316 |
|---|---|
| Cosine metric | 0.7778 |
| Dice metric | 0.7742 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+317 more
