MMsINC Database Search


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MMsINC code: MMs03363778

Type: Neutral
Formula: C₁₃H₇Cl₅O₂

SMILES:

Clc1c(OC)c(Oc2ccc(Cl)cc2Cl)cc(Cl)c1Cl

InChI:

InChI=1/C13H7Cl5O2/c1-19-13-10(5-8(16)11(17)12(13)18)20-9-3-2-6(14)4-7(9)15/h2-5H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8731 kcal/mol

Physical Properties
Molecular Weight: 372.462 g/mol	logS: -6.88942	SlogP: 6.7545	Reactive groups: 0

Topological Properties
Globularity: 0.182463	Sterimol/B1: 2.30163	Sterimol/B2: 4.00009	Sterimol/B3: 4.62482
Sterimol/B4: 8.14076	Sterimol/L: 14.1088

Surface and Volume Properties
Accessible surface: 527.431	Positive charged surface: 165.745	Negative charged surface: 361.686	Volume: 278
Hydrophobic surface: 522.433	Hydrophilic surface: 4.998

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: no related molecules available.