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MMsINC code: MMs02674125

Type: Ionized
Formula: C₁₄H₉Cl₂N₂O₃-

SMILES:

Clc1c(NC(=O)Nc2ccc(cc2)C(=O)[O-])cccc1Cl

InChI:

InChI=1/C14H10Cl2N2O3/c15-10-2-1-3-11(12(10)16)18-14(21)17-9-6-4-8(5-7-9)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)=41.5989 kcal/mol

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

Topological Properties
Globularity: 2.71796e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.10139	Sterimol/B3: 2.54304
Sterimol/B4: 6.44748	Sterimol/L: 17.5888

Surface and Volume Properties
Accessible surface: 520.677	Positive charged surface: 194.673	Negative charged surface: 326.003	Volume: 268.75
Hydrophobic surface: 380.683	Hydrophilic surface: 139.994

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

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Parent related molecule:

MMs02674124
PUBCHEM-ZINC00397448