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MMsINC code: MMs00798108

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₄

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)NCc1ccc(cc1)C(O)=O

InChI:

InChI=1/C19H15ClN2O4/c1-11-16(17(22-26-11)14-4-2-3-5-15(14)20)18(23)21-10-12-6-8-13(9-7-12)19(24)25/h2-9H,10H2,1H3,(H,21,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1303 kcal/mol

Physical Properties
Molecular Weight: 370.792 g/mol	logS: -5.35752	SlogP: 4.19802	Reactive groups: 0

Topological Properties
Globularity: 0.12827	Sterimol/B1: 2.21612	Sterimol/B2: 4.40584	Sterimol/B3: 4.51998
Sterimol/B4: 10.2537	Sterimol/L: 14.3643

Surface and Volume Properties
Accessible surface: 611.432	Positive charged surface: 296.91	Negative charged surface: 314.522	Volume: 328
Hydrophobic surface: 458.974	Hydrophilic surface: 152.458

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

MMs00798109
CHEMBRIDGE-ZINC04840969