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MMsINC code: MMs00915646

Type: Neutral
Formula: C₂₀H₂₀N₂O₅

SMILES:

O(C)c1cc(NC(=O)Cc2c3c(n(C)c2C(O)=O)cccc3)ccc1OC

InChI:

InChI=1/C20H20N2O5/c1-22-15-7-5-4-6-13(15)14(19(22)20(24)25)11-18(23)21-12-8-9-16(26-2)17(10-12)27-3/h4-10H,11H2,1-3H3,(H,21,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.556 kcal/mol

Physical Properties
Molecular Weight: 368.389 g/mol	logS: -3.82333	SlogP: 3.43407	Reactive groups: 0

Topological Properties
Globularity: 0.137931	Sterimol/B1: 3.28351	Sterimol/B2: 4.30448	Sterimol/B3: 4.48078
Sterimol/B4: 7.25641	Sterimol/L: 15.7454

Surface and Volume Properties
Accessible surface: 632.537	Positive charged surface: 454.109	Negative charged surface: 175.091	Volume: 342.75
Hydrophobic surface: 502.17	Hydrophilic surface: 130.367

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00915647
CHEMDIV-ZINC03660271