MMsINC Database Search


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MMsINC code: MMs00725318

Type: Neutral
Formula: C₁₉H₁₃Cl₂NO₄

SMILES:

Clc1cccc(Cl)c1COC(=O)c1ccccc1NC(=O)c1occc1

InChI:

InChI=1/C19H13Cl2NO4/c20-14-6-3-7-15(21)13(14)11-26-19(24)12-5-1-2-8-16(12)22-18(23)17-9-4-10-25-17/h1-10H,11H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.0533 kcal/mol

Physical Properties
Molecular Weight: 390.222 g/mol	logS: -6.72465	SlogP: 5.4621	Reactive groups: 0

Topological Properties
Globularity: 0.049838	Sterimol/B1: 2.45301	Sterimol/B2: 4.53903	Sterimol/B3: 4.93928
Sterimol/B4: 9.37215	Sterimol/L: 17.8145

Surface and Volume Properties
Accessible surface: 622.599	Positive charged surface: 270.391	Negative charged surface: 352.208	Volume: 330.625
Hydrophobic surface: 553.35	Hydrophilic surface: 69.249

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.