MMsINC Database Search


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MMsINC code: MMs02718272

Type: Neutral
Formula: C₁₃H₈Cl₄N₂O

SMILES:

Clc1c(NC(=O)Nc2cc(Cl)ccc2Cl)cccc1Cl

InChI:

InChI=1/C13H8Cl4N2O/c14-7-4-5-8(15)11(6-7)19-13(20)18-10-3-1-2-9(16)12(10)17/h1-6H,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9509 kcal/mol

Physical Properties
Molecular Weight: 350.032 g/mol	logS: -6.18921	SlogP: 5.9442	Reactive groups: 0

Topological Properties
Globularity: 0.0385582	Sterimol/B1: 2.44126	Sterimol/B2: 3.55235	Sterimol/B3: 4.25785
Sterimol/B4: 6.19739	Sterimol/L: 15.4572

Surface and Volume Properties
Accessible surface: 522.655	Positive charged surface: 168.464	Negative charged surface: 354.192	Volume: 268.125
Hydrophobic surface: 479.644	Hydrophilic surface: 43.011

Pharmacophoric Properties
Hydrogen bond donors: 2	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.