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MMsINC code: MMs00838621

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

OC(=O)c1[nH]c2c(cccc2)c1CC(=O)N(C)c1ccccc1CC

InChI:

InChI=1/C20H20N2O3/c1-3-13-8-4-7-11-17(13)22(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)=87.9536 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.39826	SlogP: 3.63394	Reactive groups: 0

Topological Properties
Globularity: 0.134725	Sterimol/B1: 3.63199	Sterimol/B2: 4.26177	Sterimol/B3: 4.44301
Sterimol/B4: 7.266	Sterimol/L: 14.4874

Surface and Volume Properties
Accessible surface: 572.228	Positive charged surface: 351.068	Negative charged surface: 218.034	Volume: 327.625
Hydrophobic surface: 430.007	Hydrophilic surface: 142.221

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

MMs00838622
CHEMDIV-ZINC00201576