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MMsINC code: MMs00984411

Type: Neutral
Formula: C₂₀H₂₀N₂O

SMILES:

O=C(Nc1cc(ccc1)C)C(n1cccc1)Cc1ccccc1

InChI:

InChI=1/C20H20N2O/c1-16-8-7-11-18(14-16)21-20(23)19(22-12-5-6-13-22)15-17-9-3-2-4-10-17/h2-14,19H,15H2,1H3,(H,21,23)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.139 kcal/mol

Physical Properties
Molecular Weight: 304.393 g/mol	logS: -4.02183	SlogP: 4.31449	Reactive groups: 0

Topological Properties
Globularity: 0.0590339	Sterimol/B1: 3.1831	Sterimol/B2: 3.8617	Sterimol/B3: 4.27266
Sterimol/B4: 5.74831	Sterimol/L: 17.0482

Surface and Volume Properties
Accessible surface: 566.568	Positive charged surface: 339.26	Negative charged surface: 227.307	Volume: 316.25
Hydrophobic surface: 526.538	Hydrophilic surface: 40.03

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.