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MMsINC code: MMs00472633

Type: Neutral
Formula: C₁₆H₁₄ClFN₂O₃

SMILES:

Clc1cc(NC(=O)NC(Cc2ccccc2)C(O)=O)ccc1F

InChI:

InChI=1/C16H14ClFN2O3/c17-12-9-11(6-7-13(12)18)19-16(23)20-14(15(21)22)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,21,22)(H2,19,20,23)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4594 kcal/mol

Physical Properties
Molecular Weight: 336.75 g/mol	logS: -4.28267	SlogP: 3.29647	Reactive groups: 0

Topological Properties
Globularity: 0.107103	Sterimol/B1: 2.52796	Sterimol/B2: 3.34557	Sterimol/B3: 4.0122
Sterimol/B4: 9.1998	Sterimol/L: 13.9736

Surface and Volume Properties
Accessible surface: 562.954	Positive charged surface: 268.235	Negative charged surface: 294.718	Volume: 290.25
Hydrophobic surface: 432.67	Hydrophilic surface: 130.284

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00472634
AURORAFEINCHEMIE-ZINC05164923