MMsINC Database Search


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MMsINC code: MMs01295167

Type: Neutral
Formula: C₁₆H₁₅F₂NO₄

SMILES:

FC(F)Oc1ccc(NC(=O)c2cc(OC)c(OC)cc2)cc1

InChI:

InChI=1/C16H15F2NO4/c1-21-13-8-3-10(9-14(13)22-2)15(20)19-11-4-6-12(7-5-11)23-16(17)18/h3-9,16H,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.142 kcal/mol

Physical Properties
Molecular Weight: 323.295 g/mol	logS: -3.58988	SlogP: 3.9774	Reactive groups: 0

Topological Properties
Globularity: 0.0183604	Sterimol/B1: 2.04829	Sterimol/B2: 2.84789	Sterimol/B3: 3.26686
Sterimol/B4: 7.51099	Sterimol/L: 18.0468

Surface and Volume Properties
Accessible surface: 556.556	Positive charged surface: 353.427	Negative charged surface: 203.129	Volume: 282
Hydrophobic surface: 413.169	Hydrophilic surface: 143.387

Pharmacophoric Properties
Hydrogen bond donors: 1	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.