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MMsINC code: MMs00521052

Type: Neutral
Formula: C₁₇H₁₈N₂O₂

SMILES:

O=C(NC(Cc1ccccc1)C(=O)N)c1cc(ccc1)C

InChI:

InChI=1/C17H18N2O2/c1-12-6-5-9-14(10-12)17(21)19-15(16(18)20)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H2,18,20)(H,19,21)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.3332 kcal/mol

Physical Properties
Molecular Weight: 282.343 g/mol	logS: -4.11286	SlogP: 1.82139	Reactive groups: 0

Topological Properties
Globularity: 0.133567	Sterimol/B1: 2.5299	Sterimol/B2: 5.37033	Sterimol/B3: 5.81134
Sterimol/B4: 5.95444	Sterimol/L: 13.4023

Surface and Volume Properties
Accessible surface: 535.188	Positive charged surface: 301.235	Negative charged surface: 233.953	Volume: 285.5
Hydrophobic surface: 411.42	Hydrophilic surface: 123.768

Pharmacophoric Properties
Hydrogen bond donors: 2	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.