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MMsINC code: MMs01972672

Type: Neutral
Formula: C₁₂H₁₅Cl₂NO₂

SMILES:

Clc1cc(Cl)ccc1OCC(=O)NCC(C)C

InChI:

InChI=1/C12H15Cl2NO2/c1-8(2)6-15-12(16)7-17-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.9183 kcal/mol

Physical Properties
Molecular Weight: 276.163 g/mol	logS: -3.80716	SlogP: 3.1444	Reactive groups: 0

Topological Properties
Globularity: 0.0246857	Sterimol/B1: 2.38498	Sterimol/B2: 3.61994	Sterimol/B3: 4.42733
Sterimol/B4: 4.53984	Sterimol/L: 17.0982

Surface and Volume Properties
Accessible surface: 511.844	Positive charged surface: 263.254	Negative charged surface: 248.591	Volume: 248.75
Hydrophobic surface: 421.521	Hydrophilic surface: 90.323

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.