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MMsINC code: MMs00848428

Type: Ionized
Formula: C₁₆H₁₂ClN₂O₃-

SMILES:

Clc1cc(-n2c3c(nc2C)cc(cc3)C(=O)[O-])c(OC)cc1

InChI:

InChI=1/C16H13ClN2O3/c1-9-18-12-7-10(16(20)21)3-5-13(12)19(9)14-8-11(17)4-6-15(14)22-2/h3-8H,1-2H3,(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5075 kcal/mol

Physical Properties
Molecular Weight: 315.736 g/mol	logS: -4.52926	SlogP: 2.35942	Reactive groups: 0

Topological Properties
Globularity: 0.162408	Sterimol/B1: 2.1612	Sterimol/B2: 2.24699	Sterimol/B3: 5.72251
Sterimol/B4: 8.58804	Sterimol/L: 14.0305

Surface and Volume Properties
Accessible surface: 516.529	Positive charged surface: 249.91	Negative charged surface: 266.62	Volume: 279
Hydrophobic surface: 398.952	Hydrophilic surface: 117.577

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Parent related molecule:

MMs00848427
CHEMDIV-ZINC00266861