MMsINC Database Search


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MMsINC code: MMs03347655

Type: Neutral
Formula: C₁₄H₁₇NO₅

SMILES:

O(C(=O)C)c1ccc(cc1OC)/C(=N/OC(=O)C)/CC

InChI:

InChI=1/C14H17NO5/c1-5-12(15-20-10(3)17)11-6-7-13(19-9(2)16)14(8-11)18-4/h6-8H,5H2,1-4H3/b15-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.604 kcal/mol

Physical Properties
Molecular Weight: 279.292 g/mol	logS: -2.83351	SlogP: 2.2977	Reactive groups: 0

Topological Properties
Globularity: 0.121514	Sterimol/B1: 1.969	Sterimol/B2: 2.56231	Sterimol/B3: 5.64714
Sterimol/B4: 7.88863	Sterimol/L: 14.4659

Surface and Volume Properties
Accessible surface: 543.587	Positive charged surface: 353.352	Negative charged surface: 190.235	Volume: 264.5
Hydrophobic surface: 417.719	Hydrophilic surface: 125.868

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.