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MMsINC code: MMs00130401

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

O=C(Nc1ccc(cc1)C(C)C)Cc1c2c([nH]c1)cccc2

InChI:

InChI=1/C19H20N2O/c1-13(2)14-7-9-16(10-8-14)21-19(22)11-15-12-20-18-6-4-3-5-17(15)18/h3-10,12-13,20H,11H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4149 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -5.2106	SlogP: 4.47247	Reactive groups: 0

Topological Properties
Globularity: 0.0819998	Sterimol/B1: 3.35203	Sterimol/B2: 3.94265	Sterimol/B3: 4.4959
Sterimol/B4: 4.96591	Sterimol/L: 16.8461

Surface and Volume Properties
Accessible surface: 571.316	Positive charged surface: 357.736	Negative charged surface: 209.827	Volume: 300.875
Hydrophobic surface: 450.273	Hydrophilic surface: 121.043

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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: no related molecules available.