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MMsINC code: MMs00499776

Type: Neutral
Formula: C₁₆H₁₃ClFNO₃

SMILES:

Clc1ccc(cc1)C(NC(=O)c1cc(F)ccc1)CC(O)=O

InChI:

InChI=1/C16H13ClFNO3/c17-12-6-4-10(5-7-12)14(9-15(20)21)19-16(22)11-2-1-3-13(18)8-11/h1-8,14H,9H2,(H,19,22)(H,20,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.8692 kcal/mol

Physical Properties
Molecular Weight: 321.735 g/mol	logS: -4.20594	SlogP: 3.5204	Reactive groups: 0

Topological Properties
Globularity: 0.15247	Sterimol/B1: 2.79973	Sterimol/B2: 4.21724	Sterimol/B3: 4.6964
Sterimol/B4: 7.99736	Sterimol/L: 14.5093

Surface and Volume Properties
Accessible surface: 544.721	Positive charged surface: 249.461	Negative charged surface: 295.26	Volume: 279.375
Hydrophobic surface: 429.747	Hydrophilic surface: 114.974

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs00499777
CHEMBLOCK-ZINC00112711