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DocumentationIdentifier: MM303914
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303914 |
| SMILES |
CC#CC(C#CC)OC=O
|
| InChIKey |
BOKNKZUPEKNWRO-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM178408
Similarity: 0.9487
Similarity to MM178408
| Tanimoto metric | 0.9487 |
|---|---|
| Cosine metric | 0.974 |
| Dice metric | 0.9737 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89536
Similarity: 0.7872
Similarity to MM89536
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.881 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380201
Similarity: 0.7872
Similarity to MM380201
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.881 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+113 more
