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MMsINC code: MMs03396373

Type: Neutral
Formula: C₁₁H₁₅Cl₂NO

SMILES:

Clc1cccc(Cl)c1CNC(CO)(C)C

InChI:

InChI=1/C11H15Cl2NO/c1-11(2,7-15)14-6-8-9(12)4-3-5-10(8)13/h3-5,14-15H,6-7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.4016 kcal/mol

Physical Properties
Molecular Weight: 248.153 g/mol	logS: -3.04584	SlogP: 3.1203	Reactive groups: 0

Topological Properties
Globularity: 0.117592	Sterimol/B1: 2.46652	Sterimol/B2: 3.47726	Sterimol/B3: 4.14957
Sterimol/B4: 6.0104	Sterimol/L: 13.0646

Surface and Volume Properties
Accessible surface: 435.846	Positive charged surface: 232.876	Negative charged surface: 202.971	Volume: 226.125
Hydrophobic surface: 345.146	Hydrophilic surface: 90.7

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03396374
PUBCHEM-ZINC05817213