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MMsINC code: MMs03169829

Type: Ionized
Formula: C₁₄H₉Cl₂N₂O₃-

SMILES:

Clc1ccc(Cl)cc1NC(=O)Nc1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C14H10Cl2N2O3/c15-9-3-6-11(16)12(7-9)18-14(21)17-10-4-1-8(2-5-10)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.8992 kcal/mol

Physical Properties
Molecular Weight: 324.143 g/mol	logS: -4.95048	SlogP: 3.0009	Reactive groups: 0

Topological Properties
Globularity: 4.701e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.10248	Sterimol/B3: 3.91772
Sterimol/B4: 6.20811	Sterimol/L: 17.119

Surface and Volume Properties
Accessible surface: 523.557	Positive charged surface: 190.245	Negative charged surface: 333.312	Volume: 268.375
Hydrophobic surface: 383.59	Hydrophilic surface: 139.967

Pharmacophoric Properties
Hydrogen bond donors: 2	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:

MMs03169828
PUBCHEM-ZINC04776748