MMsINC Database Search


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MMsINC code: MMs00199676

Type: Neutral
Formula: C₂₀H₁₀Cl₄N₂O₂

SMILES:

Clc1c(Cl)c(Cl)c2c(c1Cl)C(=O)N(C2=O)c1ccc(cc1)Cc1ccncc1

InChI:

InChI=1/C20H10Cl4N2O2/c21-15-13-14(16(22)18(24)17(15)23)20(28)26(19(13)27)12-3-1-10(2-4-12)9-11-5-7-25-8-6-11/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.1712 kcal/mol

Physical Properties
Molecular Weight: 452.124 g/mol	logS: -7.55399	SlogP: 6.08657	Reactive groups: 0

Topological Properties
Globularity: 0.0581929	Sterimol/B1: 2.50129	Sterimol/B2: 3.97755	Sterimol/B3: 5.06245
Sterimol/B4: 6.37356	Sterimol/L: 17.6227

Surface and Volume Properties
Accessible surface: 619.393	Positive charged surface: 270.498	Negative charged surface: 348.895	Volume: 356.75
Hydrophobic surface: 547.109	Hydrophilic surface: 72.284

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0

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Ions/Tautomers related molecules: no related molecules available.