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DocumentationIdentifier: MM278627
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM278627 |
| SMILES |
CN=CNCC(F)CC=O
|
| InChIKey |
QWMNEFQWVAYCNF-UHFFFAOYSA-N
|
| MW [Da] |
146.17
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM87348
Similarity: 0.6726
Similarity to MM87348
| Tanimoto metric | 0.6726 |
|---|---|
| Cosine metric | 0.8048 |
| Dice metric | 0.8042 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303113
Similarity: 0.6696
Similarity to MM303113
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8023 |
| Dice metric | 0.8021 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250765
Similarity: 0.6614
Similarity to MM250765
| Tanimoto metric | 0.6614 |
|---|---|
| Cosine metric | 0.7982 |
| Dice metric | 0.7962 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+146 more
