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MMsINC code: MMs00337010

Type: Tautomer
Formula: C₂₀H₁₉NO₆

SMILES:

O(C)c1ccc(OC)cc1C1NC(=O)C(=O)C1C(=O)c1cc(OC)ccc1

InChI:

InChI=1/C20H19NO6/c1-25-12-6-4-5-11(9-12)18(22)16-17(21-20(24)19(16)23)14-10-13(26-2)7-8-15(14)27-3/h4-10,16-17H,1-3H3,(H,21,24)/t16-,17+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2616 kcal/mol

Physical Properties
Molecular Weight: 369.373 g/mol	logS: -4.01807	SlogP: 2.047	Reactive groups: 0

Topological Properties
Globularity: 0.122301	Sterimol/B1: 3.95197	Sterimol/B2: 4.2058	Sterimol/B3: 4.27694
Sterimol/B4: 7.41042	Sterimol/L: 17.7933

Surface and Volume Properties
Accessible surface: 611.153	Positive charged surface: 408.573	Negative charged surface: 202.58	Volume: 336.25
Hydrophobic surface: 455.176	Hydrophilic surface: 155.977

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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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Parent related molecule:

MMs00337009
ASINEX-ZINC04453165