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MMsINC code: MMs03076289

Type: Neutral
Formula: C₁₇H₁₃F₄NO₆

SMILES:

Fc1ccc2c(ccc(OC)c2C(F)(F)F)c1C(=O)N(CC(O)=O)C(OC)=O

InChI:

InChI=1/C17H13F4NO6/c1-27-11-6-4-8-9(14(11)17(19,20)21)3-5-10(18)13(8)15(25)22(7-12(23)24)16(26)28-2/h3-6H,7H2,1-2H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.0204 kcal/mol

Physical Properties
Molecular Weight: 403.284 g/mol	logS: -5.16478	SlogP: 3.611	Reactive groups: 0

Topological Properties
Globularity: 0.144614	Sterimol/B1: 1.97449	Sterimol/B2: 4.16644	Sterimol/B3: 4.56394
Sterimol/B4: 8.08469	Sterimol/L: 15.3495

Surface and Volume Properties
Accessible surface: 554.954	Positive charged surface: 305.742	Negative charged surface: 243.731	Volume: 309.25
Hydrophobic surface: 318.443	Hydrophilic surface: 236.511

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03076290
PUBCHEM-ZINC03791654