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MMsINC code: MMs02043786

Type: Neutral
Formula: C₂₀H₁₉NO₅

SMILES:

O\1c2c(ccc(O)c2CN(C)C)C(=O)/C/1=C\c1ccc(cc1)C(OC)=O

InChI:

InChI=1/C20H19NO5/c1-21(2)11-15-16(22)9-8-14-18(23)17(26-19(14)15)10-12-4-6-13(7-5-12)20(24)25-3/h4-10,22H,11H2,1-3H3/b17-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.324 kcal/mol

Physical Properties
Molecular Weight: 353.374 g/mol	logS: -4.43972	SlogP: 3.123	Reactive groups: 1

Topological Properties
Globularity: 0.0475556	Sterimol/B1: 2.48087	Sterimol/B2: 4.30765	Sterimol/B3: 4.67304
Sterimol/B4: 7.44451	Sterimol/L: 16.1973

Surface and Volume Properties
Accessible surface: 591.598	Positive charged surface: 409.239	Negative charged surface: 182.359	Volume: 332.25
Hydrophobic surface: 456.272	Hydrophilic surface: 135.326

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs02043787
IFLAB-ZINC04339518