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Identifier: MM397463

2D Structure
3D Structure
Source:
General
Identifier MM397463
SMILES COCCC(C=O)=C(C)C
InChIKey OFOBRHFMHWNICP-UHFFFAOYSA-N
MW [Da] 142.2

Automatically obtained from RDkit software.
LogP 1.56

Automatically obtained from RDkit software.
Links

PubChem

 N/A

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
MM413386
Similarity: 0.7589
Similarity to MM413386
Tanimoto metric 0.7589
Cosine metric 0.863
Dice metric 0.8629
MW:
142.2
PI:
2
Total passive interactions
MM397463
 2
MM413386
 2
LogP:
1.56
AI:
0
Total active interactions
MM397463
 0
MM413386
 0
MM382383
Similarity: 0.7544
Similarity to MM382383
Tanimoto metric 0.7544
Cosine metric 0.86
Dice metric 0.86
MW:
142.15
PI:
2
Total passive interactions
MM397463
 2
MM382383
 2
LogP:
0.35
AI:
0
Total active interactions
MM397463
 0
MM382383
 0
MM382054
Similarity: 0.7544
Similarity to MM382054
Tanimoto metric 0.7544
Cosine metric 0.86
Dice metric 0.86
MW:
142.2
PI:
2
Total passive interactions
MM397463
 2
MM382054
 2
LogP:
1.56
AI:
0
Total active interactions
MM397463
 0
MM382054
 0
+314 more

No data

Methods

Computed
QSAR
Simulated
Coarse grain MD

No data

No transporter data found.