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MMsINC code: MMs02065088

Type: Neutral
Formula: C₁₉H₂₀N₂O₅

SMILES:

O(C)c1cc(OC)ccc1NC(=O)COc1c2c(ccc1)C(=O)NCC2

InChI:

InChI=1/C19H20N2O5/c1-24-12-6-7-15(17(10-12)25-2)21-18(22)11-26-16-5-3-4-14-13(16)8-9-20-19(14)23/h3-7,10H,8-9,11H2,1-2H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.634 kcal/mol

Physical Properties
Molecular Weight: 356.378 g/mol	logS: -3.86245	SlogP: 2.00717	Reactive groups: 0

Topological Properties
Globularity: 0.0233657	Sterimol/B1: 2.03623	Sterimol/B2: 2.51109	Sterimol/B3: 3.99666
Sterimol/B4: 8.52301	Sterimol/L: 18.5216

Surface and Volume Properties
Accessible surface: 623.109	Positive charged surface: 462.544	Negative charged surface: 160.565	Volume: 329.625
Hydrophobic surface: 489.458	Hydrophilic surface: 133.651

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.