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MMsINC code: MMs00467349

Type: Neutral
Formula: C₂₀H₁₈N₂O₂

SMILES:

O=C/1N2C(Cc3c(C2)cccc3)C(=O)N\C\1=C\c1ccc(cc1)C

InChI:

InChI=1/C20H18N2O2/c1-13-6-8-14(9-7-13)10-17-20(24)22-12-16-5-3-2-4-15(16)11-18(22)19(23)21-17/h2-10,18H,11-12H2,1H3,(H,21,23)/b17-10+/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.816 kcal/mol

Physical Properties
Molecular Weight: 318.376 g/mol	logS: -4.74349	SlogP: 2.68559	Reactive groups: 0

Topological Properties
Globularity: 0.0656189	Sterimol/B1: 2.75035	Sterimol/B2: 2.89213	Sterimol/B3: 4.21529
Sterimol/B4: 8.06094	Sterimol/L: 15.1564

Surface and Volume Properties
Accessible surface: 551.137	Positive charged surface: 337.62	Negative charged surface: 213.517	Volume: 308.5
Hydrophobic surface: 469.715	Hydrophilic surface: 81.422

Pharmacophoric Properties
Hydrogen bond donors: 1	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.