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MMsINC code: MMs03901539

Type: Neutral
Formula: C₁₆H₂₀N₂O₆

SMILES:

O(C)c1c(OC)c2n(C)c(cc2cc1OC)C(=O)NC(C(O)=O)C

InChI:

InChI=1/C16H20N2O6/c1-8(16(20)21)17-15(19)10-6-9-7-11(22-3)13(23-4)14(24-5)12(9)18(10)2/h6-8H,1-5H3,(H,17,19)(H,20,21)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2384 kcal/mol

Physical Properties
Molecular Weight: 336.344 g/mol	logS: -2.34203	SlogP: 1.7662	Reactive groups: 0

Topological Properties
Globularity: 0.0491863	Sterimol/B1: 2.18228	Sterimol/B2: 4.35555	Sterimol/B3: 5.04868
Sterimol/B4: 6.23755	Sterimol/L: 16.7943

Surface and Volume Properties
Accessible surface: 580.763	Positive charged surface: 442.297	Negative charged surface: 133.382	Volume: 309.375
Hydrophobic surface: 420.528	Hydrophilic surface: 160.235

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

MMs03901540
PUBCHEM-ZINC06911890