MMsINC Database Search


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MMsINC code: MMs02011307

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O=C(C(=O)Nc1ccccc1C)c1c2c(n(C)c1C)cccc2

InChI:

InChI=1/C19H18N2O2/c1-12-8-4-6-10-15(12)20-19(23)18(22)17-13(2)21(3)16-11-7-5-9-14(16)17/h4-11H,1-3H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.7117 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -4.34399	SlogP: 3.97574	Reactive groups: 0

Topological Properties
Globularity: 0.10485	Sterimol/B1: 2.68988	Sterimol/B2: 4.45814	Sterimol/B3: 5.84425
Sterimol/B4: 5.93986	Sterimol/L: 15.1281

Surface and Volume Properties
Accessible surface: 568.868	Positive charged surface: 323.722	Negative charged surface: 240.677	Volume: 303.5
Hydrophobic surface: 508.471	Hydrophilic surface: 60.397

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.