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MMsINC code: MMs01972324

Type: Ionized
Formula: C₁₄H₉Cl₂N₂O₃-

SMILES:

Clc1cc(NC(=O)Nc2ccc(cc2)C(=O)[O-])ccc1Cl

InChI:

InChI=1/C14H10Cl2N2O3/c15-11-6-5-10(7-12(11)16)18-14(21)17-9-3-1-8(2-4-9)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)=36.6433 kcal/mol

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

Topological Properties
Globularity: 3.99259e-07	Sterimol/B1: 2.09741	Sterimol/B2: 2.10172	Sterimol/B3: 2.81728
Sterimol/B4: 5.35264	Sterimol/L: 18.2525

Surface and Volume Properties
Accessible surface: 520.305	Positive charged surface: 196.027	Negative charged surface: 324.278	Volume: 268.75
Hydrophobic surface: 373.036	Hydrophilic surface: 147.269

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:

MMs01972323
IFLAB-ZINC00048365