MMsINC Database Search


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MMsINC code: MMs00467264

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O=C/1N2C(Cc3c(C2)cccc3)C(=O)N\C\1=C\c1ccccc1

InChI:

InChI=1/C19H16N2O2/c22-18-17-11-14-8-4-5-9-15(14)12-21(17)19(23)16(20-18)10-13-6-2-1-3-7-13/h1-10,17H,11-12H2,(H,20,22)/b16-10+/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.158 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -4.26957	SlogP: 2.37717	Reactive groups: 0

Topological Properties
Globularity: 0.0753899	Sterimol/B1: 2.52627	Sterimol/B2: 2.75051	Sterimol/B3: 4.32579
Sterimol/B4: 7.89545	Sterimol/L: 15.136

Surface and Volume Properties
Accessible surface: 528.59	Positive charged surface: 313.828	Negative charged surface: 214.762	Volume: 290.5
Hydrophobic surface: 443.871	Hydrophilic surface: 84.719

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.