MMsINC Database Search


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MMsINC code: MMs02686594

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₂

SMILES:

Clc1cc(cc(Cl)c1OC)C(=O)Nc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5095 kcal/mol

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

Topological Properties
Globularity: 0.0222413	Sterimol/B1: 2.27944	Sterimol/B2: 3.83646	Sterimol/B3: 4.05731
Sterimol/B4: 5.19466	Sterimol/L: 16.2675

Surface and Volume Properties
Accessible surface: 500.611	Positive charged surface: 239.847	Negative charged surface: 260.764	Volume: 257.5
Hydrophobic surface: 454.845	Hydrophilic surface: 45.766

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.