MMsINC Database Search


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MMsINC code: MMs00045384

Type: Neutral
Formula: C₁₀H₄Cl₄N₂O

SMILES:

Clc1ccc(cc1)-c1nc(on1)C(Cl)=C(Cl)Cl

InChI:

InChI=1/C10H4Cl4N2O/c11-6-3-1-5(2-4-6)9-15-10(17-16-9)7(12)8(13)14/h1-4H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.828 kcal/mol

Physical Properties
Molecular Weight: 309.967 g/mol	logS: -6.8803	SlogP: 4.8414	Reactive groups: 0

Topological Properties
Globularity: 1.59334e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09913	Sterimol/B3: 2.68168
Sterimol/B4: 5.63242	Sterimol/L: 16.1217

Surface and Volume Properties
Accessible surface: 462.444	Positive charged surface: 116.286	Negative charged surface: 346.158	Volume: 228.375
Hydrophobic surface: 407.97	Hydrophilic surface: 54.474

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

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Ions/Tautomers related molecules: no related molecules available.