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MMsINC code: MMs01833076

Type: Neutral
Formula: C₁₃H₁₄Cl₂N₂O₂

SMILES:

Clc1cc(N2C(=O)C(NCCC)CC2=O)cc(Cl)c1

InChI:

InChI=1/C13H14Cl2N2O2/c1-2-3-16-11-7-12(18)17(13(11)19)10-5-8(14)4-9(15)6-10/h4-6,11,16H,2-3,7H2,1H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.1846 kcal/mol

Physical Properties
Molecular Weight: 301.173 g/mol	logS: -3.66355	SlogP: 2.6249	Reactive groups: 0

Topological Properties
Globularity: 0.109908	Sterimol/B1: 2.3867	Sterimol/B2: 4.5408	Sterimol/B3: 4.90028
Sterimol/B4: 6.12901	Sterimol/L: 14.7349

Surface and Volume Properties
Accessible surface: 525.089	Positive charged surface: 252.65	Negative charged surface: 272.438	Volume: 260
Hydrophobic surface: 419.358	Hydrophilic surface: 105.731

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.