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MMsINC code: MMs02155280

Type: Neutral
Formula: C₁₉H₁₂Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1\C=C/1\c2c(NC\1=O)cccc2

InChI:

InChI=1/C19H12Cl2N2O2/c1-10-12(9-13-11-5-2-3-8-16(11)22-19(13)24)18(23-25-10)17-14(20)6-4-7-15(17)21/h2-9H,1H3,(H,22,24)/b13-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.607 kcal/mol

Physical Properties
Molecular Weight: 371.223 g/mol	logS: -6.81618	SlogP: 5.44952	Reactive groups: 0

Topological Properties
Globularity: 0.234508	Sterimol/B1: 2.12572	Sterimol/B2: 4.01101	Sterimol/B3: 4.86072
Sterimol/B4: 10.3338	Sterimol/L: 12.9469

Surface and Volume Properties
Accessible surface: 550.061	Positive charged surface: 253.032	Negative charged surface: 297.029	Volume: 319.75
Hydrophobic surface: 485.848	Hydrophilic surface: 64.213

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.