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MMsINC code: MMs00094218

Type: Neutral
Formula: C₉H₇Cl₄NO₂

SMILES:

Clc1ccc(cc1)C(=O)NC(O)C(Cl)(Cl)Cl

InChI:

InChI=1/C9H7Cl4NO2/c10-6-3-1-5(2-4-6)7(15)14-8(16)9(11,12)13/h1-4,8,16H,(H,14,15)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.6575 kcal/mol

Physical Properties
Molecular Weight: 302.972 g/mol	logS: -4.35125	SlogP: 3.1783	Reactive groups: 0

Topological Properties
Globularity: 0.0641549	Sterimol/B1: 2.54455	Sterimol/B2: 3.36492	Sterimol/B3: 4.36895
Sterimol/B4: 5.4636	Sterimol/L: 14.7228

Surface and Volume Properties
Accessible surface: 455.312	Positive charged surface: 114.778	Negative charged surface: 340.534	Volume: 226.5
Hydrophobic surface: 220.721	Hydrophilic surface: 234.591

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.