MMsINC Database Search


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MMsINC code: MMs02501558

Type: Neutral
Formula: C₁₇H₁₀Cl₂N₂O₄

SMILES:

Clc1ccc(N2C(=O)C(C(=O)Nc3ccc(Cl)cc3)C(=O)C2=O)cc1

InChI:

InChI=1/C17H10Cl2N2O4/c18-9-1-5-11(6-2-9)20-15(23)13-14(22)17(25)21(16(13)24)12-7-3-10(19)4-8-12/h1-8,13H,(H,20,23)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.6867 kcal/mol

Physical Properties
Molecular Weight: 377.183 g/mol	logS: -5.56997	SlogP: 2.6906	Reactive groups: 0

Topological Properties
Globularity: 0.032805	Sterimol/B1: 3.50836	Sterimol/B2: 3.53714	Sterimol/B3: 4.12178
Sterimol/B4: 5.42076	Sterimol/L: 18.538

Surface and Volume Properties
Accessible surface: 586.72	Positive charged surface: 222.464	Negative charged surface: 364.256	Volume: 303.5
Hydrophobic surface: 441.762	Hydrophilic surface: 144.958

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	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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Ions/Tautomers related molecules: no related molecules available.