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MMsINC code: MMs01209630

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

o1c2c(nc1-c1cccc(NC(=O)C3CCC3)c1C)cccc2

InChI:

InChI=1/C19H18N2O2/c1-12-14(19-21-16-9-2-3-11-17(16)23-19)8-5-10-15(12)20-18(22)13-6-4-7-13/h2-3,5,8-11,13H,4,6-7H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2007 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -5.88719	SlogP: 4.54182	Reactive groups: 0

Topological Properties
Globularity: 0.0325598	Sterimol/B1: 2.48231	Sterimol/B2: 3.06352	Sterimol/B3: 3.18357
Sterimol/B4: 6.67374	Sterimol/L: 18.2062

Surface and Volume Properties
Accessible surface: 561.405	Positive charged surface: 223.168	Negative charged surface: 169.755	Volume: 301.125
Hydrophobic surface: 505.811	Hydrophilic surface: 55.594

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.