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MMsINC code: MMs00745438

Type: Neutral
Formula: C₁₄H₁₀ClNO₃

SMILES:

Clc1cc(ccc1)C(=O)Nc1ccccc1C(O)=O

InChI:

InChI=1/C14H10ClNO3/c15-10-5-3-4-9(8-10)13(17)16-12-7-2-1-6-11(12)14(18)19/h1-8H,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0345 kcal/mol

Physical Properties
Molecular Weight: 275.691 g/mol	logS: -4.05856	SlogP: 3.2905	Reactive groups: 0

Topological Properties
Globularity: 0.021506	Sterimol/B1: 2.60897	Sterimol/B2: 2.9835	Sterimol/B3: 3.4821
Sterimol/B4: 6.18741	Sterimol/L: 14.1317

Surface and Volume Properties
Accessible surface: 469.096	Positive charged surface: 219.57	Negative charged surface: 249.526	Volume: 239.5
Hydrophobic surface: 356.599	Hydrophilic surface: 112.497

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs00745439
CHEMBRIDGE-ZINC02984218