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MMsINC code: MMs01321517

Type: Neutral
Formula: C₁₇H₁₅Cl₂NO₅

SMILES:

Clc1cc(NC(=O)COC(=O)COc2ccc(Cl)cc2)ccc1OC

InChI:

InChI=1/C17H15Cl2NO5/c1-23-15-7-4-12(8-14(15)19)20-16(21)9-25-17(22)10-24-13-5-2-11(18)3-6-13/h2-8H,9-10H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.9987 kcal/mol

Physical Properties
Molecular Weight: 384.215 g/mol	logS: -5.35882	SlogP: 3.5627	Reactive groups: 1

Topological Properties
Globularity: 0.00978031	Sterimol/B1: 2.18528	Sterimol/B2: 2.5632	Sterimol/B3: 3.51626
Sterimol/B4: 6.43475	Sterimol/L: 21.644

Surface and Volume Properties
Accessible surface: 648.848	Positive charged surface: 342.995	Negative charged surface: 305.853	Volume: 326.75
Hydrophobic surface: 544.007	Hydrophilic surface: 104.841

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.