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MMsINC code: MMs00838661

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

OC(=O)c1[nH]c2c(cccc2)c1CC(=O)N(Cc1ccccc1)CC

InChI:

InChI=1/C20H20N2O3/c1-2-22(13-14-8-4-3-5-9-14)18(23)12-16-15-10-6-7-11-17(15)21-19(16)20(24)25/h3-11,21H,2,12-13H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.5912 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -3.99382	SlogP: 3.72367	Reactive groups: 0

Topological Properties
Globularity: 0.121755	Sterimol/B1: 2.00848	Sterimol/B2: 2.44192	Sterimol/B3: 4.5934
Sterimol/B4: 8.96321	Sterimol/L: 14.3191

Surface and Volume Properties
Accessible surface: 578.79	Positive charged surface: 347.649	Negative charged surface: 228.11	Volume: 329.75
Hydrophobic surface: 430.342	Hydrophilic surface: 148.448

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

MMs00838662
CHEMDIV-ZINC00201612