MMsINC Database Search


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MMsINC code: MMs00852491

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O(C)c1cc(ccc1)C(=O)NCCn1c2c(cc1C)cccc2

InChI:

InChI=1/C19H20N2O2/c1-14-12-15-6-3-4-9-18(15)21(14)11-10-20-19(22)16-7-5-8-17(13-16)23-2/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8637 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -3.87303	SlogP: 3.65472	Reactive groups: 0

Topological Properties
Globularity: 0.0500161	Sterimol/B1: 2.22211	Sterimol/B2: 3.50286	Sterimol/B3: 4.31165
Sterimol/B4: 8.35886	Sterimol/L: 18.5802

Surface and Volume Properties
Accessible surface: 585.291	Positive charged surface: 360.728	Negative charged surface: 218.999	Volume: 311.875
Hydrophobic surface: 527.584	Hydrophilic surface: 57.707

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.