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MMsINC code: MMs01075364

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O=C1N(CCCc2c3c([nH]c2)cccc3)C(=O)c2c1cccc2

InChI:

InChI=1/C19H16N2O2/c22-18-15-8-1-2-9-16(15)19(23)21(18)11-5-6-13-12-20-17-10-4-3-7-14(13)17/h1-4,7-10,12,20H,5-6,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.7934 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -4.25577	SlogP: 3.39667	Reactive groups: 0

Topological Properties
Globularity: 0.0844736	Sterimol/B1: 2.45819	Sterimol/B2: 3.60903	Sterimol/B3: 3.8281
Sterimol/B4: 6.83692	Sterimol/L: 16.0613

Surface and Volume Properties
Accessible surface: 558.877	Positive charged surface: 313.731	Negative charged surface: 240.426	Volume: 293.875
Hydrophobic surface: 436.968	Hydrophilic surface: 121.909

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.