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MMsINC code: MMs01980339

Type: Neutral
Formula: C₁₈H₁₃ClN₂O₄

SMILES:

ClC1=C(Nc2ccccc2C(O)=O)C(=O)N(Cc2ccccc2)C1=O

InChI:

InChI=1/C18H13ClN2O4/c19-14-15(20-13-9-5-4-8-12(13)18(24)25)17(23)21(16(14)22)10-11-6-2-1-3-7-11/h1-9,20H,10H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.293 kcal/mol

Physical Properties
Molecular Weight: 356.765 g/mol	logS: -4.92357	SlogP: 3.1914	Reactive groups: 1

Topological Properties
Globularity: 0.103768	Sterimol/B1: 3.62249	Sterimol/B2: 3.78648	Sterimol/B3: 4.19793
Sterimol/B4: 5.60569	Sterimol/L: 15.2194

Surface and Volume Properties
Accessible surface: 553.219	Positive charged surface: 299.019	Negative charged surface: 254.199	Volume: 307.125
Hydrophobic surface: 385.291	Hydrophilic surface: 167.928

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

MMs01980340
IFLAB-ZINC00865013