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MMsINC code: MMs00614058

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₂

SMILES:

Clc1cccc(Cl)c1C(=O)Nc1cc(OC)ccc1

InChI:

InChI=1/C14H11Cl2NO2/c1-19-10-5-2-4-9(8-10)17-14(18)13-11(15)6-3-7-12(13)16/h2-8H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9528 kcal/mol

Physical Properties
Molecular Weight: 296.153 g/mol	logS: -4.87383	SlogP: 4.2543	Reactive groups: 0

Topological Properties
Globularity: 0.0476051	Sterimol/B1: 2.87511	Sterimol/B2: 3.49192	Sterimol/B3: 3.943
Sterimol/B4: 5.73356	Sterimol/L: 15.0223

Surface and Volume Properties
Accessible surface: 500.579	Positive charged surface: 245.63	Negative charged surface: 254.948	Volume: 256
Hydrophobic surface: 455.242	Hydrophilic surface: 45.337

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.