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MMsINC code: MMs03268045

Type: Neutral
Formula: C₁₃H₁₄FNO₄

SMILES:

Fc1ccc(cc1)C(=O)CCC(NC(=O)C)C(O)=O

InChI:

InChI=1/C13H14FNO4/c1-8(16)15-11(13(18)19)6-7-12(17)9-2-4-10(14)5-3-9/h2-5,11H,6-7H2,1H3,(H,15,16)(H,18,19)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.2888 kcal/mol

Physical Properties
Molecular Weight: 267.256 g/mol	logS: -2.24423	SlogP: 1.3779	Reactive groups: 0

Topological Properties
Globularity: 0.0520994	Sterimol/B1: 2.15688	Sterimol/B2: 2.40788	Sterimol/B3: 3.63856
Sterimol/B4: 7.52027	Sterimol/L: 13.9641

Surface and Volume Properties
Accessible surface: 490.206	Positive charged surface: 268.33	Negative charged surface: 221.877	Volume: 241.5
Hydrophobic surface: 328.406	Hydrophilic surface: 161.8

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

MMs03268046
PUBCHEM-ZINC05431474