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MMsINC code: MMs03321849

Type: Ionized
Formula: C₁₄H₁₀Cl₂NO₂-

SMILES:

Clc1cccc(Cl)c1NC(C(=O)[O-])c1ccccc1

InChI:

InChI=1/C14H11Cl2NO2/c15-10-7-4-8-11(16)13(10)17-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,17H,(H,18,19)/p-1/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.597 kcal/mol

Physical Properties
Molecular Weight: 295.145 g/mol	logS: -4.67411	SlogP: 2.992	Reactive groups: 0

Topological Properties
Globularity: 0.225228	Sterimol/B1: 2.28746	Sterimol/B2: 3.35354	Sterimol/B3: 5.29415
Sterimol/B4: 6.80528	Sterimol/L: 11.9974

Surface and Volume Properties
Accessible surface: 471.505	Positive charged surface: 188.662	Negative charged surface: 282.843	Volume: 254.5
Hydrophobic surface: 391.786	Hydrophilic surface: 79.719

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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:

MMs03321848
PUBCHEM-ZINC05604192