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MMsINC code: MMs02925402

Type: Neutral
Formula: C₁₆H₁₉F₂NO₄

SMILES:

FC(F)Oc1cc(C)c(NC(=O)C2CCCCC2C(O)=O)cc1

InChI:

InChI=1/C16H19F2NO4/c1-9-8-10(23-16(17)18)6-7-13(9)19-14(20)11-4-2-3-5-12(11)15(21)22/h6-8,11-12,16H,2-5H2,1H3,(H,19,20)(H,21,22)/t11-,12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4185 kcal/mol

Physical Properties
Molecular Weight: 327.327 g/mol	logS: -2.97331	SlogP: 3.84582	Reactive groups: 0

Topological Properties
Globularity: 0.0363288	Sterimol/B1: 2.14158	Sterimol/B2: 2.74696	Sterimol/B3: 3.39798
Sterimol/B4: 8.70129	Sterimol/L: 16.0658

Surface and Volume Properties
Accessible surface: 535.006	Positive charged surface: 327.455	Negative charged surface: 207.551	Volume: 286.625
Hydrophobic surface: 349.891	Hydrophilic surface: 185.115

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02925403
PUBCHEM-ZINC02784123