MMsINC Database Search


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MMsINC code: MMs02686499

Type: Neutral
Formula: C₁₄H₁₀Cl₃NO₂

SMILES:

Clc1cc(cc(Cl)c1OC)C(=O)Nc1cc(Cl)ccc1

InChI:

InChI=1/C14H10Cl3NO2/c1-20-13-11(16)5-8(6-12(13)17)14(19)18-10-4-2-3-9(15)7-10/h2-7H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.766 kcal/mol

Physical Properties
Molecular Weight: 330.598 g/mol	logS: -5.60812	SlogP: 4.9077	Reactive groups: 0

Topological Properties
Globularity: 0.0284788	Sterimol/B1: 2.52843	Sterimol/B2: 3.95801	Sterimol/B3: 4.6922
Sterimol/B4: 4.80988	Sterimol/L: 16.2627

Surface and Volume Properties
Accessible surface: 530.624	Positive charged surface: 220.197	Negative charged surface: 310.428	Volume: 270.125
Hydrophobic surface: 484.668	Hydrophilic surface: 45.956

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.