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DocumentationIdentifier: MM303400
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303400 |
| SMILES |
C=CC=CCCNC(C)=O
|
| InChIKey |
BXXOSUJLKJQKCE-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305014
Similarity: 0.88
Similarity to MM305014
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69415
Similarity: 0.8049
Similarity to MM69415
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8919 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306462
Similarity: 0.7765
Similarity to MM306462
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8742 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
