MMsINC Database Search


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MMsINC code: MMs01548755

Type: Neutral
Formula: C₁₆H₁₄FNO₅

SMILES:

Fc1cc(ccc1OC)COC(=O)c1cccc(C)c1[N+](=O)[O-]

InChI:

InChI=1/C16H14FNO5/c1-10-4-3-5-12(15(10)18(20)21)16(19)23-9-11-6-7-14(22-2)13(17)8-11/h3-8H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.4875 kcal/mol

Physical Properties
Molecular Weight: 319.288 g/mol	logS: -4.83057	SlogP: 3.67432	Reactive groups: 0

Topological Properties
Globularity: 0.0510965	Sterimol/B1: 3.247	Sterimol/B2: 4.47423	Sterimol/B3: 4.50336
Sterimol/B4: 4.65856	Sterimol/L: 17.4449

Surface and Volume Properties
Accessible surface: 555.299	Positive charged surface: 306.5	Negative charged surface: 248.799	Volume: 277.875
Hydrophobic surface: 446.664	Hydrophilic surface: 108.635

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.