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MMsINC code: MMs01463506

Type: Neutral
Formula: C₂₀H₁₈N₂O₃

SMILES:

O(C(=O)c1cn(nc1-c1ccc(cc1)C)-c1ccccc1)CC(=O)C

InChI:

InChI=1/C20H18N2O3/c1-14-8-10-16(11-9-14)19-18(20(24)25-13-15(2)23)12-22(21-19)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.2794 kcal/mol

Physical Properties
Molecular Weight: 334.375 g/mol	logS: -5.12833	SlogP: 3.59352	Reactive groups: 1

Topological Properties
Globularity: 0.0226409	Sterimol/B1: 2.23612	Sterimol/B2: 2.75616	Sterimol/B3: 2.77342
Sterimol/B4: 12.2303	Sterimol/L: 16.1704

Surface and Volume Properties
Accessible surface: 623.869	Positive charged surface: 344.083	Negative charged surface: 279.786	Volume: 325.625
Hydrophobic surface: 525.954	Hydrophilic surface: 97.915

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.