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MMsINC code: MMs00838641

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

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

InChI:

InChI=1/C20H20N2O3/c1-3-22(17-11-7-4-8-13(17)2)18(23)12-15-14-9-5-6-10-16(14)21-19(15)20(24)25/h4-11,21H,3,12H2,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2239 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.21025	SlogP: 3.77009	Reactive groups: 0

Topological Properties
Globularity: 0.173721	Sterimol/B1: 2.51394	Sterimol/B2: 4.43633	Sterimol/B3: 5.91899
Sterimol/B4: 6.85863	Sterimol/L: 14.457

Surface and Volume Properties
Accessible surface: 569.805	Positive charged surface: 332.147	Negative charged surface: 234.004	Volume: 327.125
Hydrophobic surface: 430.646	Hydrophilic surface: 139.159

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

MMs00838642
CHEMDIV-ZINC00201595