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MMsINC code: MMs02832286

Type: Ionized
Formula: C₁₈H₁₂ClN₂O₄-

SMILES:

ClC1=C(Nc2cc(ccc2)C(=O)[O-])C(=O)N(C1=O)c1ccccc1C

InChI:

InChI=1/C18H13ClN2O4/c1-10-5-2-3-8-13(10)21-16(22)14(19)15(17(21)23)20-12-7-4-6-11(9-12)18(24)25/h2-9,20H,1H3,(H,24,25)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2272 kcal/mol

Physical Properties
Molecular Weight: 355.757 g/mol	logS: -5.40045	SlogP: 1.90312	Reactive groups: 1

Topological Properties
Globularity: 0.0358132	Sterimol/B1: 2.40527	Sterimol/B2: 2.614	Sterimol/B3: 3.77961
Sterimol/B4: 8.16893	Sterimol/L: 16.7522

Surface and Volume Properties
Accessible surface: 560.49	Positive charged surface: 242.893	Negative charged surface: 317.598	Volume: 308.625
Hydrophobic surface: 402.934	Hydrophilic surface: 157.556

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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:

MMs02832285
PUBCHEM-ZINC01935060