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MMsINC code: MMs01980873

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(O)=O)C(=O)N(CCc2ccccc2)C1=O

InChI:

InChI=1/C19H15ClN2O4/c20-15-16(21-14-8-4-7-13(11-14)19(25)26)18(24)22(17(15)23)10-9-12-5-2-1-3-6-12/h1-8,11,21H,9-10H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8148 kcal/mol

Physical Properties
Molecular Weight: 370.792 g/mol	logS: -4.98504	SlogP: 2.96747	Reactive groups: 1

Topological Properties
Globularity: 0.0432439	Sterimol/B1: 3.21882	Sterimol/B2: 3.46024	Sterimol/B3: 3.96869
Sterimol/B4: 7.91246	Sterimol/L: 18.9248

Surface and Volume Properties
Accessible surface: 613.541	Positive charged surface: 301.658	Negative charged surface: 311.883	Volume: 327.5
Hydrophobic surface: 437.553	Hydrophilic surface: 175.988

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

MMs01980874
IFLAB-ZINC00938534