MMsINC Database Search


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MMsINC code: MMs01613148

Type: Neutral
Formula: C₁₆H₁₅Cl₂NO₂

SMILES:

Clc1cc(Cl)ccc1CNC(=O)c1ccccc1OCC

InChI:

InChI=1/C16H15Cl2NO2/c1-2-21-15-6-4-3-5-13(15)16(20)19-10-11-7-8-12(17)9-14(11)18/h3-9H,2,10H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6912 kcal/mol

Physical Properties
Molecular Weight: 324.207 g/mol	logS: -5.14508	SlogP: 4.5885	Reactive groups: 0

Topological Properties
Globularity: 0.0536603	Sterimol/B1: 2.02009	Sterimol/B2: 3.65159	Sterimol/B3: 4.52047
Sterimol/B4: 7.97081	Sterimol/L: 17.1122

Surface and Volume Properties
Accessible surface: 561.018	Positive charged surface: 280.96	Negative charged surface: 280.058	Volume: 292.875
Hydrophobic surface: 500.447	Hydrophilic surface: 60.571

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.