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MMsINC code: MMs02245870

Type: Neutral
Formula: C₁₈H₁₈N₂O₂

SMILES:

O=C1CCCCc2c1cc(NC(=O)Nc1ccccc1)cc2

InChI:

InChI=1/C18H18N2O2/c21-17-9-5-4-6-13-10-11-15(12-16(13)17)20-18(22)19-14-7-2-1-3-8-14/h1-3,7-8,10-12H,4-6,9H2,(H2,19,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1795 kcal/mol

Physical Properties
Molecular Weight: 294.354 g/mol	logS: -4.65319	SlogP: 4.23967	Reactive groups: 0

Topological Properties
Globularity: 0.0291037	Sterimol/B1: 2.88949	Sterimol/B2: 3.07377	Sterimol/B3: 3.5579
Sterimol/B4: 6.42002	Sterimol/L: 16.7179

Surface and Volume Properties
Accessible surface: 539.899	Positive charged surface: 330.004	Negative charged surface: 209.895	Volume: 284.625
Hydrophobic surface: 442.23	Hydrophilic surface: 97.669

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.