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MMsINC code: MMs02167283

Type: Neutral
Formula: C₁₉H₂₁NO₄

SMILES:

OC(CNC(=O)CC(CC(O)=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H21NO4/c21-17(15-9-5-2-6-10-15)13-20-18(22)11-16(12-19(23)24)14-7-3-1-4-8-14/h1-10,16-17,21H,11-13H2,(H,20,22)(H,23,24)/t16-,17+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.123 kcal/mol

Physical Properties
Molecular Weight: 327.38 g/mol	logS: -2.79208	SlogP: 2.5803	Reactive groups: 0

Topological Properties
Globularity: 0.0636238	Sterimol/B1: 2.097	Sterimol/B2: 3.60823	Sterimol/B3: 3.97374
Sterimol/B4: 7.20232	Sterimol/L: 18.5426

Surface and Volume Properties
Accessible surface: 599.664	Positive charged surface: 359.791	Negative charged surface: 239.873	Volume: 319.125
Hydrophobic surface: 441.213	Hydrophilic surface: 158.451

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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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Ions/Tautomers related molecules

MMs02167284
MAYBRIDGE-ZINC04325226