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N-prop-1-enylbut-2-enamide

2D Structure
3D Structure
Source:
General
Identifier MM01758
SMILES CC=CNC(=O)C=CC
InChIKey YOCQIEIUEGPNRO-UHFFFAOYSA-N
MW [Da] 125.17

Automatically obtained from RDkit software.
LogP 1.21

Automatically obtained from RDkit software.
Links

PubChem

 76224126

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
MM56376
Similarity: 0.8636
Similarity to MM56376
Tanimoto metric 0.8636
Cosine metric 0.9293
Dice metric 0.9268
MW:
140.19
PI:
1
Total passive interactions
N-prop-1-enylbut-2-enamide
 3
MM56376
 1
LogP:
0.15
AI:
0
Total active interactions
N-prop-1-enylbut-2-enamide
 0
MM56376
 0
MM62668
Similarity: 0.8636
Similarity to MM62668
Tanimoto metric 0.8636
Cosine metric 0.9293
Dice metric 0.9268
MW:
140.19
PI:
1
Total passive interactions
N-prop-1-enylbut-2-enamide
 3
MM62668
 1
LogP:
0.15
AI:
0
Total active interactions
N-prop-1-enylbut-2-enamide
 0
MM62668
 0
MM107650
Similarity: 0.8421
Similarity to MM107650
Tanimoto metric 0.8421
Cosine metric 0.9177
Dice metric 0.9143
MW:
111.14
PI:
3
Total passive interactions
N-prop-1-enylbut-2-enamide
 3
MM107650
 3
LogP:
0.82
AI:
0
Total active interactions
N-prop-1-enylbut-2-enamide
 0
MM107650
 0
+337 more

No data

Methods

Computed
QSAR
Simulated
Coarse grain MD

No data

No transporter data found.