MMsINC Database Search


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MMsINC code: MMs00598213

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O=C1N(Cc2cc3c([nH]c(C)c3C)cc2)C(=O)c2c1cccc2

InChI:

InChI=1/C19H16N2O2/c1-11-12(2)20-17-8-7-13(9-16(11)17)10-21-18(22)14-5-3-4-6-15(14)19(21)23/h3-9,20H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.9978 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -4.46639	SlogP: 3.84734	Reactive groups: 0

Topological Properties
Globularity: 0.110431	Sterimol/B1: 2.37259	Sterimol/B2: 3.50429	Sterimol/B3: 4.52874
Sterimol/B4: 6.80589	Sterimol/L: 15.8177

Surface and Volume Properties
Accessible surface: 545.726	Positive charged surface: 312.381	Negative charged surface: 227.539	Volume: 297.25
Hydrophobic surface: 438.431	Hydrophilic surface: 107.295

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.