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MMsINC code: MMs01467064

Type: Neutral
Formula: C₁₈H₁₇Cl₂NO₅

SMILES:

Clc1cc(Cl)ccc1COc1ccc(cc1OC)C(OC(C(=O)N)C)=O

InChI:

InChI=1/C18H17Cl2NO5/c1-10(17(21)22)26-18(23)11-4-6-15(16(7-11)24-2)25-9-12-3-5-13(19)8-14(12)20/h3-8,10H,9H2,1-2H3,(H2,21,22)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1188 kcal/mol

Physical Properties
Molecular Weight: 398.242 g/mol	logS: -5.70962	SlogP: 3.878	Reactive groups: 0

Topological Properties
Globularity: 0.0204906	Sterimol/B1: 2.04201	Sterimol/B2: 4.25747	Sterimol/B3: 5.38657
Sterimol/B4: 6.5572	Sterimol/L: 20.2892

Surface and Volume Properties
Accessible surface: 652.973	Positive charged surface: 341.479	Negative charged surface: 311.494	Volume: 342.375
Hydrophobic surface: 489.903	Hydrophilic surface: 163.07

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.