MMsINC Database Search


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MMsINC code: MMs02171677

Type: Neutral
Formula: C₁₄H₆Cl₄O₄

SMILES:

Clc1cc(Cl)cc(C(O)=O)c1-c1c(cc(Cl)cc1Cl)C(O)=O

InChI:

InChI=1/C14H6Cl4O4/c15-5-1-7(13(19)20)11(9(17)3-5)12-8(14(21)22)2-6(16)4-10(12)18/h1-4H,(H,19,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3441 kcal/mol

Physical Properties
Molecular Weight: 380.01 g/mol	logS: -6.68722	SlogP: 5.3636	Reactive groups: 0

Topological Properties
Globularity: 0.343234	Sterimol/B1: 3.62508	Sterimol/B2: 3.81378	Sterimol/B3: 4.81221
Sterimol/B4: 4.90869	Sterimol/L: 14.5397

Surface and Volume Properties
Accessible surface: 505.658	Positive charged surface: 153.784	Negative charged surface: 351.875	Volume: 280.5
Hydrophobic surface: 363.233	Hydrophilic surface: 142.425

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs02171678
MAYBRIDGE-ZINC04367431