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MMsINC code: MMs01623619

Type: Neutral
Formula: C₁₇H₁₆ClNO₆

SMILES:

Clc1cc(NC(=O)COC(=O)c2cccc(OC)c2O)ccc1OC

InChI:

InChI=1/C17H16ClNO6/c1-23-13-7-6-10(8-12(13)18)19-15(20)9-25-17(22)11-4-3-5-14(24-2)16(11)21/h3-8,21H,9H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.272 kcal/mol

Physical Properties
Molecular Weight: 365.769 g/mol	logS: -4.23614	SlogP: 2.8583	Reactive groups: 0

Topological Properties
Globularity: 0.0103463	Sterimol/B1: 2.85903	Sterimol/B2: 3.34927	Sterimol/B3: 3.85306
Sterimol/B4: 4.92353	Sterimol/L: 20.5733

Surface and Volume Properties
Accessible surface: 626.608	Positive charged surface: 399.944	Negative charged surface: 226.664	Volume: 315.875
Hydrophobic surface: 492.732	Hydrophilic surface: 133.876

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.