MMsINC Database Search


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MMsINC code: MMs02828446

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(Cc1ccccc1)C(=O)N1Cc2c(nc3c(c2)cccc3)C1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.5801 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -4.1336	SlogP: 4.6864	Reactive groups: 0

Topological Properties
Globularity: 0.0345178	Sterimol/B1: 2.9325	Sterimol/B2: 3.61718	Sterimol/B3: 3.61828
Sterimol/B4: 6.3763	Sterimol/L: 18.1205

Surface and Volume Properties
Accessible surface: 577.101	Positive charged surface: 347.185	Negative charged surface: 223.937	Volume: 296.375
Hydrophobic surface: 499.81	Hydrophilic surface: 77.291

Pharmacophoric Properties
Hydrogen bond donors: 0	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.