MMsINC Database Search


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MMsINC code: MMs01549149

Type: Neutral
Formula: C₁₆H₁₄FNO₆

SMILES:

Fc1ccc(cc1)COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]

InChI:

InChI=1/C16H14FNO6/c1-22-14-7-12(13(18(20)21)8-15(14)23-2)16(19)24-9-10-3-5-11(17)6-4-10/h3-8H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.74 kcal/mol

Physical Properties
Molecular Weight: 335.287 g/mol	logS: -4.72048	SlogP: 3.3745	Reactive groups: 0

Topological Properties
Globularity: 0.0532857	Sterimol/B1: 2.56577	Sterimol/B2: 3.55982	Sterimol/B3: 3.82535
Sterimol/B4: 8.69505	Sterimol/L: 16.7493

Surface and Volume Properties
Accessible surface: 567.849	Positive charged surface: 341.282	Negative charged surface: 226.567	Volume: 286.875
Hydrophobic surface: 445.332	Hydrophilic surface: 122.517

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.