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MMsINC code: MMs02552941

Type: Neutral
Formula: C₁₄H₁₈FNO₅

SMILES:

Fc1ccccc1C(O)C(NC(OC(C)(C)C)=O)C(O)=O

InChI:

InChI=1/C14H18FNO5/c1-14(2,3)21-13(20)16-10(12(18)19)11(17)8-6-4-5-7-9(8)15/h4-7,10-11,17H,1-3H3,(H,16,20)(H,18,19)/t10-,11+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4341 kcal/mol

Physical Properties
Molecular Weight: 299.298 g/mol	logS: -2.67774	SlogP: 1.9325	Reactive groups: 0

Topological Properties
Globularity: 0.165327	Sterimol/B1: 3.4741	Sterimol/B2: 3.81739	Sterimol/B3: 5.43273
Sterimol/B4: 6.26091	Sterimol/L: 12.024

Surface and Volume Properties
Accessible surface: 521.455	Positive charged surface: 296.895	Negative charged surface: 224.561	Volume: 268.75
Hydrophobic surface: 327.124	Hydrophilic surface: 194.331

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02552942
OAKWOOD-ZINC04299307