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MMsINC code: MMs01228864

Type: Neutral
Formula: C₁₇H₁₇NO₆

SMILES:

O(CC(=O)Nc1ccccc1OC)c1ccc(cc1OC)C(O)=O

InChI:

InChI=1/C17H17NO6/c1-22-13-6-4-3-5-12(13)18-16(19)10-24-14-8-7-11(17(20)21)9-15(14)23-2/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.89 kcal/mol

Physical Properties
Molecular Weight: 331.324 g/mol	logS: -3.50185	SlogP: 2.4195	Reactive groups: 0

Topological Properties
Globularity: 0.0154175	Sterimol/B1: 2.33318	Sterimol/B2: 2.5284	Sterimol/B3: 3.49354
Sterimol/B4: 7.90576	Sterimol/L: 17.5416

Surface and Volume Properties
Accessible surface: 596.665	Positive charged surface: 411.553	Negative charged surface: 185.112	Volume: 300.875
Hydrophobic surface: 438.067	Hydrophilic surface: 158.598

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	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

MMs01228865
ENAMINE-ZINC00360652