MMsINC Database Search


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MMsINC code: MMs03002420

Type: Neutral
Formula: C₁₀H₆Cl₆N₂O₂

SMILES:

ClC(Cl)(Cl)C(=O)Nc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1

InChI:

InChI=1/C10H6Cl6N2O2/c11-9(12,13)7(19)17-5-2-1-3-6(4-5)18-8(20)10(14,15)16/h1-4H,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.127 kcal/mol

Physical Properties
Molecular Weight: 398.888 g/mol	logS: -6.60458	SlogP: 5.1438	Reactive groups: 0

Topological Properties
Globularity: 0.0488579	Sterimol/B1: 2.53409	Sterimol/B2: 3.13064	Sterimol/B3: 3.71653
Sterimol/B4: 7.72198	Sterimol/L: 15.3166

Surface and Volume Properties
Accessible surface: 546.691	Positive charged surface: 100.314	Negative charged surface: 446.377	Volume: 278.25
Hydrophobic surface: 131.146	Hydrophilic surface: 415.545

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.