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MMsINC code: MMs00931808

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

OC(=O)c1n(c2c(cccc2)c1CC(=O)N(C)c1cc(ccc1)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.964 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.0905	SlogP: 3.74959	Reactive groups: 0

Topological Properties
Globularity: 0.12572	Sterimol/B1: 2.99912	Sterimol/B2: 4.65162	Sterimol/B3: 5.20046
Sterimol/B4: 6.77472	Sterimol/L: 15.6164

Surface and Volume Properties
Accessible surface: 587.801	Positive charged surface: 383.544	Negative charged surface: 201.215	Volume: 329.625
Hydrophobic surface: 491.434	Hydrophilic surface: 96.367

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00931809
CHEMDIV-ZINC04192571