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MMsINC code: MMs01074356

Type: Neutral
Formula: C₁₆H₁₃ClFNO₃

SMILES:

Clc1ccccc1C(=O)NC(CC(O)=O)c1ccc(F)cc1

InChI:

InChI=1/C16H13ClFNO3/c17-13-4-2-1-3-12(13)16(22)19-14(9-15(20)21)10-5-7-11(18)8-6-10/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)=52.4362 kcal/mol

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

Topological Properties
Globularity: 0.159459	Sterimol/B1: 2.66517	Sterimol/B2: 4.76325	Sterimol/B3: 5.93196
Sterimol/B4: 6.66117	Sterimol/L: 13.7193

Surface and Volume Properties
Accessible surface: 530.186	Positive charged surface: 252.471	Negative charged surface: 277.714	Volume: 279.125
Hydrophobic surface: 425.99	Hydrophilic surface: 104.196

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

MMs01074357
CHEMSTAR-ZINC00278471