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MMsINC code: MMs00838635

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

OC(=O)c1[nH]c2c(cccc2)c1CC(=O)N(C)c1ccccc1C

InChI:

InChI=1/C19H18N2O3/c1-12-7-3-6-10-16(12)21(2)17(22)11-14-13-8-4-5-9-15(13)20-18(14)19(23)24/h3-10,20H,11H2,1-2H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.534 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -3.88304	SlogP: 3.37999	Reactive groups: 0

Topological Properties
Globularity: 0.139669	Sterimol/B1: 3.40153	Sterimol/B2: 4.37771	Sterimol/B3: 4.65203
Sterimol/B4: 6.88516	Sterimol/L: 14.5022

Surface and Volume Properties
Accessible surface: 559.323	Positive charged surface: 332.849	Negative charged surface: 222.481	Volume: 308.375
Hydrophobic surface: 440.496	Hydrophilic surface: 118.827

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

MMs00838636
CHEMDIV-ZINC00201589