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MMsINC code: MMs02847396

Type: Ionized
Formula: C₁₉H₁₃ClNO₅-

SMILES:

Clc1ccc(cc1)C(=O)n1c2c(cc3OCOc3c2)c(CC(=O)[O-])c1C

InChI:

InChI=1/C19H14ClNO5/c1-10-13(7-18(22)23)14-6-16-17(26-9-25-16)8-15(14)21(10)19(24)11-2-4-12(20)5-3-11/h2-6,8H,7,9H2,1H3,(H,22,23)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.0216 kcal/mol

Physical Properties
Molecular Weight: 370.768 g/mol	logS: -5.0181	SlogP: 2.31269	Reactive groups: 0

Topological Properties
Globularity: 0.0918062	Sterimol/B1: 1.98675	Sterimol/B2: 3.45576	Sterimol/B3: 3.80355
Sterimol/B4: 10.1007	Sterimol/L: 15.553

Surface and Volume Properties
Accessible surface: 566.605	Positive charged surface: 273.07	Negative charged surface: 288.103	Volume: 319.125
Hydrophobic surface: 405.927	Hydrophilic surface: 160.678

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 2	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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Parent related molecule:

MMs02847395
PUBCHEM-ZINC02008014