MMsINC Database Search


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MMsINC code: MMs03537205

Type: Neutral
Formula: C₁₄H₁₂Cl₄N₂O₂

SMILES:

Clc1cc(O)cc(Cl)c1C(N)C(N)c1c(Cl)cc(O)cc1Cl

InChI:

InChI=1/C14H12Cl4N2O2/c15-7-1-5(21)2-8(16)11(7)13(19)14(20)12-9(17)3-6(22)4-10(12)18/h1-4,13-14,21-22H,19-20H2/t13-,14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.3329 kcal/mol

Physical Properties
Molecular Weight: 382.074 g/mol	logS: -4.72232	SlogP: 4.6022	Reactive groups: 0

Topological Properties
Globularity: 0.0721502	Sterimol/B1: 3.50616	Sterimol/B2: 3.55654	Sterimol/B3: 3.88705
Sterimol/B4: 5.95172	Sterimol/L: 15.4683

Surface and Volume Properties
Accessible surface: 512.719	Positive charged surface: 220.132	Negative charged surface: 292.587	Volume: 293.875
Hydrophobic surface: 335.949	Hydrophilic surface: 176.77

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.