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MMsINC code: MMs03336279

Type: Neutral
Formula: C₁₆H₁₄ClNO₃

SMILES:

Clc1ccc(cc1)C(=O)NC(CC(O)=O)c1ccccc1

InChI:

InChI=1/C16H14ClNO3/c17-13-8-6-12(7-9-13)16(21)18-14(10-15(19)20)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,18,21)(H,19,20)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.6821 kcal/mol

Physical Properties
Molecular Weight: 303.745 g/mol	logS: -3.91096	SlogP: 3.3813	Reactive groups: 0

Topological Properties
Globularity: 0.0848401	Sterimol/B1: 2.41803	Sterimol/B2: 3.00551	Sterimol/B3: 3.80019
Sterimol/B4: 7.31589	Sterimol/L: 15.3101

Surface and Volume Properties
Accessible surface: 529.591	Positive charged surface: 251.771	Negative charged surface: 277.819	Volume: 274.125
Hydrophobic surface: 414.046	Hydrophilic surface: 115.545

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

MMs03336280
PUBCHEM-ZINC05650106