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MMsINC code: MMs01419061

Type: Neutral
Formula: C₁₈H₁₇F₂NO₄

SMILES:

FC(F)Oc1ccc(cc1)C(=O)NC(CC(O)=O)c1ccc(cc1)C

InChI:

InChI=1/C18H17F2NO4/c1-11-2-4-12(5-3-11)15(10-16(22)23)21-17(24)13-6-8-14(9-7-13)25-18(19)20/h2-9,15,18H,10H2,1H3,(H,21,24)(H,22,23)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0862 kcal/mol

Physical Properties
Molecular Weight: 349.333 g/mol	logS: -3.78484	SlogP: 4.05762	Reactive groups: 0

Topological Properties
Globularity: 0.061231	Sterimol/B1: 2.39586	Sterimol/B2: 3.00416	Sterimol/B3: 3.75593
Sterimol/B4: 8.55155	Sterimol/L: 16.2537

Surface and Volume Properties
Accessible surface: 588.486	Positive charged surface: 313.774	Negative charged surface: 274.713	Volume: 306
Hydrophobic surface: 382.366	Hydrophilic surface: 206.12

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01419062
ENAMINE-ZINC03399303