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DocumentationIdentifier: MM303527
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303527 |
| SMILES |
C#CCC(COC)NC=O
|
| InChIKey |
BKNUMDYNJGYUCU-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177914
Similarity: 0.7692
Similarity to MM177914
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302914
Similarity: 0.7521
Similarity to MM302914
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8585 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305643
Similarity: 0.6312
Similarity to MM305643
| Tanimoto metric | 0.6312 |
|---|---|
| Cosine metric | 0.774 |
| Dice metric | 0.7739 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
