MMsINC Database Search


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MMsINC code: MMs02860676

Type: Neutral
Formula: C₁₀H₆Cl₄N₄

SMILES:

Clc1ccc(cc1)-c1nc(nc(n1)N)C(Cl)(Cl)Cl

InChI:

InChI=1/C10H6Cl4N4/c11-6-3-1-5(2-4-6)7-16-8(10(12,13)14)18-9(15)17-7/h1-4H,(H2,15,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.1472 kcal/mol

Physical Properties
Molecular Weight: 323.998 g/mol	logS: -6.40591	SlogP: 3.9124	Reactive groups: 0

Topological Properties
Globularity: 0.0207091	Sterimol/B1: 3.24414	Sterimol/B2: 3.66078	Sterimol/B3: 3.68724
Sterimol/B4: 6.69337	Sterimol/L: 14.3273

Surface and Volume Properties
Accessible surface: 484.405	Positive charged surface: 149.805	Negative charged surface: 329.064	Volume: 243.5
Hydrophobic surface: 205.994	Hydrophilic surface: 278.411

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.