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MMsINC code: MMs00848444

Type: Ionized
Formula: C₁₅H₁₀ClN₂O₂-

SMILES:

Clc1cc(-n2c3c(nc2)cc(cc3)C(=O)[O-])ccc1C

InChI:

InChI=1/C15H11ClN2O2/c1-9-2-4-11(7-12(9)16)18-8-17-13-6-10(15(19)20)3-5-14(13)18/h2-8H,1H3,(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9046 kcal/mol

Physical Properties
Molecular Weight: 285.71 g/mol	logS: -4.64706	SlogP: 2.35082	Reactive groups: 0

Topological Properties
Globularity: 0.0166859	Sterimol/B1: 2.41589	Sterimol/B2: 3.0398	Sterimol/B3: 4.05037
Sterimol/B4: 5.45131	Sterimol/L: 15.5903

Surface and Volume Properties
Accessible surface: 487.33	Positive charged surface: 208.928	Negative charged surface: 278.403	Volume: 254.75
Hydrophobic surface: 366.761	Hydrophilic surface: 120.569

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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:

MMs00848443
CHEMDIV-ZINC00266891