MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00194531

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₃

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(cc1)C(=O)C

InChI:

InChI=1/C19H14Cl2N2O3/c1-10(24)12-6-8-13(9-7-12)22-19(25)16-11(2)26-23-18(16)17-14(20)4-3-5-15(17)21/h3-9H,1-2H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.199 kcal/mol

Physical Properties
Molecular Weight: 389.238 g/mol	logS: -6.49064	SlogP: 5.41172	Reactive groups: 0

Topological Properties
Globularity: 0.104245	Sterimol/B1: 2.27739	Sterimol/B2: 4.02215	Sterimol/B3: 4.77537
Sterimol/B4: 10.2436	Sterimol/L: 15.3744

Surface and Volume Properties
Accessible surface: 597.082	Positive charged surface: 262.859	Negative charged surface: 334.222	Volume: 335.25
Hydrophobic surface: 514.991	Hydrophilic surface: 82.091

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.