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DocumentationIdentifier: MM75022
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75022 |
| SMILES |
C#CCC(CC#N)NC=O
|
| InChIKey |
KKSOMIJEVCWERO-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM303586
Similarity: 0.7019
Similarity to MM303586
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.8319 |
| Dice metric | 0.8249 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75009
Similarity: 0.6827
Similarity to MM75009
| Tanimoto metric | 0.6827 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8114 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33868
Similarity: 0.58
Similarity to MM33868
| Tanimoto metric | 0.58 |
|---|---|
| Cosine metric | 0.7616 |
| Dice metric | 0.7342 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
