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DocumentationIdentifier: MM93436
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93436 |
| SMILES |
COC(=O)C=CC#CCO
|
| InChIKey |
CDTOLMVYKCWUHS-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM93441
Similarity: 0.8438
Similarity to MM93441
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9153 |
| Dice metric | 0.9153 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303192
Similarity: 0.7684
Similarity to MM303192
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.869 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
6-hydroxyhex-2-en-4-ynoic Acid
Similarity: 0.764
Similarity to 6-hydroxyhex-2-en-4-ynoic Acid
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8662 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
