MMsINC Database Search


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MMsINC code: MMs03001531

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

OCCNC(=O)Cc1n(c2c(c1)cccc2)Cc1ccccc1

InChI:

InChI=1/C19H20N2O2/c22-11-10-20-19(23)13-17-12-16-8-4-5-9-18(16)21(17)14-15-6-2-1-3-7-15/h1-9,12,22H,10-11,13-14H2,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6845 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -3.49467	SlogP: 2.60697	Reactive groups: 0

Topological Properties
Globularity: 0.0893271	Sterimol/B1: 2.33378	Sterimol/B2: 2.842	Sterimol/B3: 4.30071
Sterimol/B4: 9.86832	Sterimol/L: 14.9763

Surface and Volume Properties
Accessible surface: 578.261	Positive charged surface: 364.941	Negative charged surface: 207.957	Volume: 311.875
Hydrophobic surface: 476.824	Hydrophilic surface: 101.437

Pharmacophoric Properties
Hydrogen bond donors: 2	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.