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MMsINC code: MMs00766327

Type: Neutral
Formula: C₁₅H₁₂ClNO₄

SMILES:

Clc1cc(NC(=O)c2ccc(OC)cc2)c(cc1)C(O)=O

InChI:

InChI=1/C15H12ClNO4/c1-21-11-5-2-9(3-6-11)14(18)17-13-8-10(16)4-7-12(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8726 kcal/mol

Physical Properties
Molecular Weight: 305.717 g/mol	logS: -4.10894	SlogP: 3.2991	Reactive groups: 0

Topological Properties
Globularity: 0.0172844	Sterimol/B1: 2.51648	Sterimol/B2: 2.92071	Sterimol/B3: 4.5219
Sterimol/B4: 6.11306	Sterimol/L: 16.1279

Surface and Volume Properties
Accessible surface: 514.09	Positive charged surface: 277.389	Negative charged surface: 236.701	Volume: 266.75
Hydrophobic surface: 391.615	Hydrophilic surface: 122.475

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs00766328
CHEMBRIDGE-ZINC04201498