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MMsINC code: MMs01715378

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₃

SMILES:

Clc1c(NC(=O)COC(=O)CCc2c3c([nH]c2)cccc3)cccc1Cl

InChI:

InChI=1/C19H16Cl2N2O3/c20-14-5-3-7-16(19(14)21)23-17(24)11-26-18(25)9-8-12-10-22-15-6-2-1-4-13(12)15/h1-7,10,22H,8-9,11H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9072 kcal/mol

Physical Properties
Molecular Weight: 391.254 g/mol	logS: -5.46491	SlogP: 4.58917	Reactive groups: 1

Topological Properties
Globularity: 0.0556626	Sterimol/B1: 2.3529	Sterimol/B2: 3.6908	Sterimol/B3: 5.33907
Sterimol/B4: 6.51811	Sterimol/L: 20.3969

Surface and Volume Properties
Accessible surface: 655.013	Positive charged surface: 324.453	Negative charged surface: 325.59	Volume: 341.625
Hydrophobic surface: 526.122	Hydrophilic surface: 128.891

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: no related molecules available.