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MMsINC code: MMs02691891

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O=C(N)c1ccccc1NC(=O)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C19H16N2O2/c20-19(23)16-10-3-4-11-17(16)21-18(22)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H2,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1321 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -5.54634	SlogP: 3.11987	Reactive groups: 0

Topological Properties
Globularity: 0.135919	Sterimol/B1: 2.57921	Sterimol/B2: 2.7376	Sterimol/B3: 5.48205
Sterimol/B4: 6.70122	Sterimol/L: 14.2162

Surface and Volume Properties
Accessible surface: 540.799	Positive charged surface: 304.962	Negative charged surface: 226.996	Volume: 294.625
Hydrophobic surface: 423.448	Hydrophilic surface: 117.351

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.